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2-(Phenylthio)ethyl pentanoate
SpectraBase Compound ID 459gc2Iohmw
InChI InChI=1S/C13H18O2S/c1-2-3-9-13(14)15-10-11-16-12-7-5-4-6-8-12/h4-8H,2-3,9-11H2,1H3
InChIKey GCZBEOIGJKMHIG-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 1GYtTmyP3ti
Name 2-(Phenylthio)ethyl pentanoate
Appearance Light-yellow oil
Carrier Gas Argon
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 238.102750992 u
Formula C13H18O2S
GC Column HP-5 (30 m x 0.32 mm, film thickness 0.25 micrometer)
InChI InChI=1S/C13H18O2S/c1-2-3-9-13(14)15-10-11-16-12-7-5-4-6-8-12/h4-8H,2-3,9-11H2,1H3
InChIKey GCZBEOIGJKMHIG-UHFFFAOYSA-N
Instrument Name Agilent HP-7890A-AMD 402
Ionization Type EI
Literature Reference DOI 10.1002/anie.202211939
Molecular Weight 238.345 g/mol
Quality 142
SMILES C1(=CC=CC=C1)SCCOC(CCCC)=O
SPLASH splash10-000i-2900000000-c25ef9679cab20f28768
Source of Spectrum ACI-61-SM20-3 (DOI: 10.1002/anie.202211939)
Wiley ID 1899554