芐氧羰基-L-丙氨酸(1142-20-7)紅外圖譜(IR2)

產(chǎn)品名稱:芐氧羰基-L-丙氨酸

CAS:1142-20-7

分子式:C11H13NO4

分子量: 223.23

InChI:InChI=1S/C11H13NO4/c1-8(10(13)14)12-11(15)16-7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,12,15)(H,13,14)/t8-/m0/s1

InChIKey: TYRGLVWXHJRKMT-QMMMGPOBSA-N

Smiles:C(O)(=O)[C@H](C)NC(OCC1=CC=CC=C1)=O

Mass

MS-NW-2478          
N-benzyloxycarbonyl-L-alanine
C11H13NO4           (Mass of molecular ion:    223)

   Source Temperature: 210 °C
   Sample Temperature: 150 °C
   Direct, 75 eV

      15.0       4.4
      18.0       2.2
      26.0       2.8
      27.0       6.7
      28.0      32.6
      29.0       3.0
      31.0       1.7
      38.0       2.1
      39.0       7.9
      40.0       2.5
      41.0       3.8
      42.0      11.2
      43.0      36.5
      44.0       7.2
      45.0       1.6
      50.0       5.0
      51.0      12.5
      52.0       3.6
      53.0       2.8
      55.0       1.0
      62.0       1.3
      63.0       3.7
      64.0       1.1
      65.0      10.2
      70.0       4.8
      71.0       2.5
      74.0       2.0
      77.0      27.0
      78.0       6.7
      79.0      66.3
      80.0       7.0
      88.0       5.0
      89.0       6.0
      90.0       7.9
      91.0      79.2
      92.0       7.5
     105.0       2.7
     106.0       1.1
     107.0      49.9
     108.0     100.0
     109.0       7.8
     115.0       1.8
     134.0       3.1
     223.0       1.9

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₁ H₁₃ N O₄	0.047 g : 0.5 ml CDCl₃
N-benzyloxycarbonyl-L-alanine

    Assign.     Shift(ppm)

      A            10.89
      B             7.32
      C             5.4
      D             5.116
      E             4.39
      F             1.436

     Hz     ppm     Int.

    974.98  10.887    140
    662.15   7.394     25
    655.99   7.325   1000
    650.70   7.266     25
    649.93   7.257     23
    458.26   5.117    279
    394.26   4.403     23
    393.41   4.393     25
    392.90   4.388     26
    392.55   4.384     25
    392.21   4.380     24
    132.28   1.477    282
    129.03   1.441     34
    128.26   1.433     33
    125.01   1.396    268

in CDCl3