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Hexadecanoic acid, 2-(methylthio)-
SpectraBase Compound ID Gle9IaHT04p
InChI InChI=1S/C17H34O2S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16(20-2)17(18)19/h16H,3-15H2,1-2H3,(H,18,19)
InChIKey RTMBKMPGJODDIQ-UHFFFAOYSA-N
Mol Weight 302.5 g/mol
Molecular Formula C17H34O2S
Exact Mass 302.227952 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 32nzS1vNPE
Name Hexadecanoic acid, 2-(methylthio)-
CAS Registry Number 63049-29-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H34O2S
InChI InChI=1S/C17H34O2S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16(20-2)17(18)19/h16H,3-15H2,1-2H3,(H,18,19)
InChIKey RTMBKMPGJODDIQ-UHFFFAOYSA-N
Molecular Weight 302.517 g/mol
SMILES OC(=O)C(SC)CCCCCCCCCCCCCC
SPLASH splash10-0a4l-4391000000-79962a58112467204b6c
Source of Spectrum C-99-3107-0
Synonyms 2-(methylsulfanyl)hexadecanoic acid 2-(methylthio)hexadecanoic acid
Wiley ID 1304746