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(1R,2R)-cis-2-Phenylcyclopentanol (R)-O-Acetylmandelate Ester
SpectraBase Compound ID rtxUrSrMl9
InChI InChI=1S/C21H22O4/c1-15(22)24-21(23)20(17-11-6-3-7-12-17)25-19-14-8-13-18(19)16-9-4-2-5-10-16/h2-7,9-12,18-20H,8,13-14H2,1H3/t18-,19-,20?/m1/s1
InChIKey YXMWPCZQIPJCPA-LEAGNCFPSA-N
Mol Weight 338.4 g/mol
Molecular Formula C21H22O4
Exact Mass 338.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1ccrB9D527
Name (1R,2R)-cis-2-Phenylcyclopentanol (R)-O-Acetylmandelate Ester
Alternate Name(s) Acetic phenyl{[(1R,2R)-2-phenylcyclopentyl]oxy}acetic anhydride
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22O4
InChI InChI=1S/C21H22O4/c1-15(22)24-21(23)20(17-11-6-3-7-12-17)25-19-14-8-13-18(19)16-9-4-2-5-10-16/h2-7,9-12,18-20H,8,13-14H2,1H3/t18-,19-,20?/m1/s1
InChIKey YXMWPCZQIPJCPA-LEAGNCFPSA-N
Molecular Weight 338.403 g/mol
SMILES C(C(O[C@]1([C@@](c2ccccc2)(CCC1)[H])[H])c1ccccc1)(OC(=O)C)=O
SPLASH splash10-0007-6900000000-6ec57ad1384198136597
Source of Spectrum J-60-5782-11
Wiley ID 1334003