DL-MANDELIC ACID BENZYL ESTER(80409-16-1) IR1
Product NameDL-MANDELIC ACID BENZYL ESTER
CAS80409-16-1
Molecular FormulaC15H14O3
Molecular Weight242.27
InChIInChI=1S/C15H14O3/c16-14(13-9-5-2-6-10-13)15(17)18-11-12-7-3-1-4-8-12/h1-10,14,16H,11H2
InChIKey JFKWZVQEMSKSBU-UHFFFAOYSA-N
SmilesC1(C=CC=CC=1)C(O)C(=O)OCC1C=CC=CC=1
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Assign. Shift(ppm)
A 7.40 B 7.34 C 7.32 D 7.29 E 7.18 F *1 5.21 G 5.20 J *1 5.17 K 3.53Spectral Code: 1H NMR : 400 MHz in CDCl3
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ppm Int. Assign.
173.41 129 1 138.31 161 2 135.12 124 3 128.50 1000 4 5 6 7 127.90 441 8 126.63 516 9 73.05 231 10 67.46 231 11Spectral Code: 13C NMR : in CDCl3
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Spectral Code: IR : KBr disc
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Spectral Code: Raman : 4880 A,200 M,powder