DL-Mandelic acid (90-64-2) 1H NMR
Product NameDL-Mandelic acid
CAS90-64-2
Molecular FormulaC8H8O3
Molecular Weight152.15
InChIInChI=1S/C8H8O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7,9H,(H,10,11)
InChIKey IWYDHOAUDWTVEP-UHFFFAOYSA-N
SmilesC(C1C=CC=CC=1)(O)C(=O)O
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MassMS-NW-0328 mandelic acid C8H8O3 (Mass of molecular ion: 152)
Source Temperature: 140 °C Sample Temperature: 110 °C Direct, 75 eV
27.0 2.1 29.0 2.7 38.0 1.2 39.0 3.5 45.0 1.4 50.0 4.3 51.0 11.1 52.0 2.5 53.0 1.9 62.0 1.0 63.0 1.9 74.0 1.2 77.0 31.3 78.0 5.0 79.0 49.4 80.0 3.4 89.0 1.7 90.0 3.2 105.0 4.9 106.0 1.3 107.0 100.0 108.0 8.4 152.0 14.4 153.0 1.3
90 MHz in DMSO-d6
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1H NMR 89.56 MHz C8 H8 O3 0.045 g : 0.5 ml DMSO-d6 mandelic acid 
Assign. Shift(ppm)
A 7.47 to 7.26 B 6. C 5.042 BASE LINE INCLUDES OH AND COOH SIGNALS.
Hz ppm Int.672.66 7.511 75 670.80 7.490 110 668.95 7.470 182 667.87 7.458 248 666.99 7.448 236 664.06 7.415 467 662.21 7.395 987 660.16 7.372 598 658.98 7.358 1000 658.30 7.351 755 656.84 7.335 421 655.47 7.319 296 654.39 7.307 430 653.42 7.296 417 650.98 7.269 381 649.61 7.254 100 648.54 7.242 68 648.14 7.237 67 451.76 5.045 884 449.12 5.015 47
in DMSO-d6
KBr disc
nujol mull
4880 A,200 M,powder
