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Benzoic acid, 2-(decylthio)-

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Benzoic acid, 2-(decylthio)-
SpectraBase Compound ID DVKeXHBqmct
InChI InChI=1S/C17H26O2S/c1-2-3-4-5-6-7-8-11-14-20-16-13-10-9-12-15(16)17(18)19/h9-10,12-13H,2-8,11,14H2,1H3,(H,18,19)
InChIKey HURAXWUGXJBOKB-UHFFFAOYSA-N
Mol Weight 294.45 g/mol
Molecular Formula C17H26O2S
Exact Mass 294.165351 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3GinM1RlZfD
Name Benzoic acid, 2-(decylthio)-
Alternate Name(s) 2-(decylthio)benzoic acid 2-(decylsulfanyl)benzoic acid 2-Decylsulfanylbenzoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H26O2S
InChI InChI=1S/C17H26O2S/c1-2-3-4-5-6-7-8-11-14-20-16-13-10-9-12-15(16)17(18)19/h9-10,12-13H,2-8,11,14H2,1H3,(H,18,19)
InChIKey HURAXWUGXJBOKB-UHFFFAOYSA-N
Molecular Weight 294.453 g/mol
SMILES OC(c1c(SCCCCCCCCCC)cccc1)=O
SPLASH splash10-000f-3890000000-15c2f9a09f85ae1a45a2
Source of Spectrum JX-2015-2-1424
Wiley ID 1723067