Product Name DL-MANDELIC ACID ISOAMYL ESTER
CAS5421-04-5
MFC13H18O3
MW222.28
InChIInChI=1S/C13H18O3/c1-10(2)8-9-16-13(15)12(14)11-6-4-3-5-7-11/h3-7,10,12,14H,8-9H2,1-2H3
InChIKeyKQQXUARABJGCMS-UHFFFAOYSA-N
SmilesC1(=CC=CC=C1)C(O)C(=O)OCCC(C)C
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Assign. Shift(ppm) A 7.55 to 7.19 B 5.145 C 4.17 D 3.51 E 1.60 F 1.46 G *1 0.84 J *1 0.82
ppm Int. Assign. 173.76 363 1 138.56 249 2 128.51 1000 3 * 128.36 438 4 126.55 905 5 * 72.98 284 6 64.80 353 7 37.11 348 8 24.93 393 9 22.31 453 10 22.26 458 10
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