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(S)-1-Phenylethyl butyrate
SpectraBase Compound ID IEwjgqt8RzI
InChI InChI=1S/C12H16O2/c1-3-7-12(13)14-10(2)11-8-5-4-6-9-11/h4-6,8-10H,3,7H2,1-2H3/t10-/m0/s1
InChIKey GGKADXREVJTZMF-JTQLQIEISA-N
Mol Weight 192.26 g/mol
Molecular Formula C12H16O2
Exact Mass 192.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2fGWebQv2W
Name (S)-1-Phenylethyl butyrate
Appearance Colourless oil
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 192.115029753 u
Formula C12H16O2
GC Column HP-5
InChI InChI=1S/C12H16O2/c1-3-7-12(13)14-10(2)11-8-5-4-6-9-11/h4-6,8-10H,3,7H2,1-2H3/t10-/m0/s1
InChIKey GGKADXREVJTZMF-JTQLQIEISA-N
Instrument Name GCMS
Ionization Type EI
Literature Reference DOI 10.1002/chem.202003752
Molecular Weight 192.258 g/mol
Quality 137
SMILES C(O[C@](C=1C=CC=CC1)(C)[H])(=O)CCC
SPLASH splash10-05fr-2900000000-a87f2bbef4d40b412842
Source of Spectrum QE-27-SM40-5c (DOI: 10.1002/chem.202003752)
Wiley ID 1904003