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7-(butylsulfanyl)heptanoic acid

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

7-(butylsulfanyl)heptanoic acid
SpectraBase Compound ID L97DMqzGZaz
InChI InChI=1S/C11H22O2S/c1-2-3-9-14-10-7-5-4-6-8-11(12)13/h2-10H2,1H3,(H,12,13)
InChIKey XOPBNOKPOZTIIV-UHFFFAOYSA-N
Mol Weight 218.35 g/mol
Molecular Formula C11H22O2S
Exact Mass 218.134051 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LZp3wxYu37S
Name 7-(butylsulfanyl)heptanoic acid
Alternate Name(s) Heptanoic acid, 7-(butylthio)- 7-(butylthio)heptanoic acid 7-Butylsulfanylheptanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H22O2S
InChI InChI=1S/C11H22O2S/c1-2-3-9-14-10-7-5-4-6-8-11(12)13/h2-10H2,1H3,(H,12,13)
InChIKey XOPBNOKPOZTIIV-UHFFFAOYSA-N
Molecular Weight 218.355 g/mol
SMILES OC(=O)CCCCCCSCCCC
SPLASH splash10-06r6-9100000000-80bbf3f74dc9f79a46b0
Source of Spectrum IY-2-4936-2
Wiley ID 1657345