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11-Mercaptoundecanoic acid

View entire compound with spectra: 4 NMR, 3 FTIR, and 2 MS (GC)

11-Mercaptoundecanoic acid
SpectraBase Compound ID AWgJO2vnjfn
InChI InChI=1S/C11H22O2S/c12-11(13)9-7-5-3-1-2-4-6-8-10-14/h14H,1-10H2,(H,12,13)
InChIKey GWOLZNVIRIHJHB-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 B1jAHWCdu1Q
Name 11-Sulfanylundecanoic acid
CAS Registry Number 71310-21-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H22O2S
InChI InChI=1S/C11H22O2S/c12-11(13)9-7-5-3-1-2-4-6-8-10-14/h14H,1-10H2,(H,12,13)
InChIKey GWOLZNVIRIHJHB-UHFFFAOYSA-N
Molecular Weight 218.355 g/mol
SMILES SCCCCCCCCCCC(=O)O
SPLASH splash10-05o4-9200000000-dc8db9dee063fddfad82
Synonyms 11-mercaptoundecanoic acid Undecanoic acid, 11-mercapto-
Wiley ID 1492058