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Propanethioic acid, S-pentyl ester

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

Propanethioic acid, S-pentyl ester
SpectraBase Compound ID DOEVCRzGOV
InChI InChI=1S/C8H16OS/c1-3-5-6-7-10-8(9)4-2/h3-7H2,1-2H3
InChIKey QWQQABHFUJEFNJ-UHFFFAOYSA-N
Mol Weight 160.27 g/mol
Molecular Formula C8H16OS
Exact Mass 160.092186 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BTUrdSFUlm0
Name Propanethioic acid, S-pentyl ester
CAS Registry Number 2602-64-4
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H16OS
InChI InChI=1S/C8H16OS/c1-3-5-6-7-10-8(9)4-2/h3-7H2,1-2H3
InChIKey QWQQABHFUJEFNJ-UHFFFAOYSA-N
Molecular Weight 160.275 g/mol
SMILES C(SCCCCC)(CC)=O
SPLASH splash10-0a4i-9000000000-3c60efd46902e064f16b
Source of Spectrum EP-1945-0-0
Synonyms S-Pentyl propanethioate Propanethioic acid S-amyl ester Propionic acid, thio-, S-pentyl ester
Wiley ID 1156701