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(1S,2S)-cis-2-Phenylcyclopentanol (R)-O-Acetylmandelate Ester
SpectraBase Compound ID ETebq9Gta9y
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?/m0/s1
InChIKey YXMWPCZQIPJCPA-NFBCFJMWSA-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 H3Se99VUX8S
Name (1S,2S)-cis-2-Phenylcyclopentanol (R)-O-Acetylmandelate Ester
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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?/m0/s1
InChIKey YXMWPCZQIPJCPA-NFBCFJMWSA-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-a605ab71c522c2796b4a
Source of Spectrum J-60-5782-11
Synonyms Acetic phenyl{[(1S,2S)-2-phenylcyclopentyl]oxy}acetic anhydride
Wiley ID 1334004