Product NameL-(+)-MANDELIC ACID ETHYL ESTER
CAS13704-09-1
Molecular FormulaC10H12O3
Molecular Weight180.2
InChIInChI=1/C10H12O3/c1-2-13-10(12)9(11)8-6-4-3-5-7-8/h3-7,9,11H,2H2,1H3/t9-/s3
InChIKey SAXHIDRUJXPDOD-DJEYLCQNNA-N
SmilesC1(C=CC=CC=1)[C@H](O)C(=O)OCC |&1:6,r|
Mass
MS-IW-9328 ethyl (S)-(+)-hydroxy(phenyl)acetate C10H12O3 (Mass of molecular ion: 180)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
18.0 1.5 26.0 1.2 27.0 4.9 28.0 5.9 29.0 8.4 31.0 3.1 39.0 2.4 45.0 1.8 50.0 3.1 51.0 9.1 52.0 2.2 53.0 1.2 63.0 1.2 77.0 28.9 78.0 4.7 79.0 40.2 80.0 2.7 89.0 1.1 90.0 1.3 105.0 20.4 106.0 8.7 107.0 100.0 108.0 7.8 118.0 1.1 180.0 5.3
400 MHz in CDCl3
1H NMR | 399.65 MHz |
C10 H12 O3 | 0.05 ml : 0.5 ml CDCl3 |
ethyl (S)-(+)-hydroxy(phenyl)acetate |
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Assign. Shift(ppm) |
Hz ppm Int.
2967.41 7.426 195 2965.58 7.421 223 2963.62 7.416 96 2959.23 7.405 320 2958.13 7.402 292 2955.57 7.396 43 2942.14 7.362 142 2940.06 7.357 154 2938.23 7.353 81 2933.59 7.341 377 2932.01 7.337 148 2927.73 7.326 172 2926.03 7.322 271 2923.34 7.315 240 2921.63 7.311 122 2919.56 7.306 70 2916.38 7.298 139 2912.60 7.288 31 2910.64 7.283 31 2909.30 7.280 41 2059.08 5.153 396 1706.79 4.271 38 1699.58 4.253 106 1695.92 4.244 65 1692.50 4.235 111 1688.84 4.226 180 1685.30 4.217 46 1681.76 4.209 178 1674.56 4.191 63 1669.92 4.179 59 1662.84 4.161 173 1659.06 4.152 44 1655.64 4.143 178 1651.98 4.134 101 1648.44 4.125 64 1644.90 4.116 99 1637.82 4.099 34 484.01 1.212 572 476.93 1.194 1000 472.90 1.184 57 469.73 1.176 543
in CDCl3
liquid film
L-(+)-MANDELIC ACID ETHYL ESTER(13704-09-1) 1H NMR Atlas of Related Products