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1-(Phenylthio)ethyl pentanoate
SpectraBase Compound ID KQkT48Q6Jvz
InChI InChI=1S/C13H18O2S/c1-3-4-10-13(14)15-11(2)16-12-8-6-5-7-9-12/h5-9,11H,3-4,10H2,1-2H3
InChIKey RSHJGEHFDSDWFQ-UHFFFAOYSA-N
Mol Weight 238.34 g/mol
Molecular Formula C13H18O2S
Exact Mass 238.102751 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9mtMoSsUPvm
Name 1-(Phenylthio)ethyl pentanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O2S
InChI InChI=1S/C13H18O2S/c1-3-4-10-13(14)15-11(2)16-12-8-6-5-7-9-12/h5-9,11H,3-4,10H2,1-2H3
InChIKey RSHJGEHFDSDWFQ-UHFFFAOYSA-N
Molecular Weight 238.345 g/mol
SMILES C(OC(Sc1ccccc1)C)(=O)CCCC
SPLASH splash10-000i-9500000000-b4d5aacdb1d384ac707e
Source of Spectrum QA-44-79-3
Synonyms 1-(Phenylsulfanyl)ethyl pentanoate
Wiley ID 862402