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Pentanoic acid, 2,4-dimethyl-, 2-phenylethyl ester, (S)-
SpectraBase Compound ID 3MYCiAVJrhS
InChI InChI=1S/C15H22O2/c1-12(2)11-13(3)15(16)17-10-9-14-7-5-4-6-8-14/h4-8,12-13H,9-11H2,1-3H3/t13-/m0/s1
InChIKey FDUCSOMYNBSZBS-ZDUSSCGKSA-N
Mol Weight 234.34 g/mol
Molecular Formula C15H22O2
Exact Mass 234.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cweun0RvGYi
Name Pentanoic acid, 2,4-dimethyl-, 2-phenylethyl ester, (S)-
CAS Registry Number 125427-72-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H22O2
InChI InChI=1S/C15H22O2/c1-12(2)11-13(3)15(16)17-10-9-14-7-5-4-6-8-14/h4-8,12-13H,9-11H2,1-3H3/t13-/m0/s1
InChIKey FDUCSOMYNBSZBS-ZDUSSCGKSA-N
Molecular Weight 234.339 g/mol
SMILES C([C@](CC(C)C)(C)[H])(=O)OCCc1ccccc1
SPLASH splash10-0pbi-8900000000-bdc19bb60520d67617f0
Source of Spectrum F-45-6192-29
Synonyms 2-Phenylethyl (2S)-2,4-dimethylpentanoate Phenylethyl 2,4-dimethylpentanoate
Wiley ID 1236402