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Mercapto-acetic acid, octyl ester

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

Mercapto-acetic acid, octyl ester
SpectraBase Compound ID Ann0e6U77nP
InChI InChI=1S/C10H20O2S/c1-2-3-4-5-6-7-8-12-10(11)9-13/h13H,2-9H2,1H3
InChIKey MADOXCFISYCULS-UHFFFAOYSA-N
Mol Weight 204.33 g/mol
Molecular Formula C10H20O2S
Exact Mass 204.118401 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B2xsSMAUubw
Name Acetic acid, mercapto-, octyl ester
CAS Registry Number 7664-80-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H20O2S
InChI InChI=1S/C10H20O2S/c1-2-3-4-5-6-7-8-12-10(11)9-13/h13H,2-9H2,1H3
InChIKey MADOXCFISYCULS-UHFFFAOYSA-N
Molecular Weight 204.328 g/mol
SMILES SCC(=O)OCCCCCCCC
SPLASH splash10-0a4l-9000000000-77453684537c5059f7c7
Source of Spectrum BW-2001-0-111
Synonyms 2-Mercaptoacetic acid octyl ester Octyl 2-sulfanylacetate Octyl 2-sulfanylethanoate Octyl mercaptoacetate Octyl sulfanylacetate Octyl thioglycolate
Wiley ID 811298