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Benzenepentanoic acid, .beta.-methyl-, ethyl ester, (S)-
SpectraBase Compound ID Ls593FJIFsa
InChI InChI=1S/C14H20O2/c1-12(10-11-16-13(2)15)8-9-14-6-4-3-5-7-14/h3-7,12H,8-11H2,1-2H3/t12-/m0/s1
InChIKey SXTYARJPORDLLT-LBPRGKRZSA-N
Mol Weight 220.31 g/mol
Molecular Formula C14H20O2
Exact Mass 220.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1vrQVbchesq
Name Benzenepentanoic acid, .beta.-methyl-, ethyl ester, (S)-
CAS Registry Number 70319-44-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20O2
InChI InChI=1S/C14H20O2/c1-12(10-11-16-13(2)15)8-9-14-6-4-3-5-7-14/h3-7,12H,8-11H2,1-2H3/t12-/m0/s1
InChIKey SXTYARJPORDLLT-LBPRGKRZSA-N
Molecular Weight 220.312 g/mol
SMILES C(=O)(OCC[C@](CCc1ccccc1)(C)[H])C
SPLASH splash10-0gvo-4900000000-8f33c174ce7ae624ab38
Source of Spectrum H-62-2369-0
Synonyms (3S)-3-methyl-5-phenylpentyl acetate (S)-3-methyl-5-phenyl-1-acetoxypentane Ethyl ester of 3S-Methyl-5-phenylpentanoic acid Acetic acid [(3S)-3-methyl-5-phenylpentyl] ester [(3S)-3-methyl-5-phenylpentyl] acetate [(3S)-3-methyl-5-phenyl-pentyl] acetate [(3S)-3-methyl-5-phenyl-pentyl] ethanoate
Wiley ID 1220053