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mercaptoacetic acid, hexyl ester
SpectraBase Compound ID E9m6t6gJefI
InChI InChI=1S/C8H16O2S/c1-2-3-4-5-6-10-8(9)7-11/h11H,2-7H2,1H3
InChIKey HTTYRACTMYJREK-UHFFFAOYSA-N
Mol Weight 176.27 g/mol
Molecular Formula C8H16O2S
Exact Mass 176.087101 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CJ93QvMJsAo
Name Acetic acid, mercapto-, hexyl ester
Alternate Name(s) Hexyl sulfanylacetate 2-Mercaptoacetic acid hexyl ester Hexyl 2-sulfanylacetate Hexyl 2-sulfanylethanoate Hexyl mercaptoacetate EINECS 243-696-3
CAS Registry Number 20292-01-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H16O2S
InChI InChI=1S/C8H16O2S/c1-2-3-4-5-6-10-8(9)7-11/h11H,2-7H2,1H3
InChIKey HTTYRACTMYJREK-UHFFFAOYSA-N
Molecular Weight 176.274 g/mol
SMILES SCC(OCCCCCC)=O
SPLASH splash10-0006-9000000000-17a6f69ffcd0f15ac435
Source of Spectrum AD-0-2532-0
Wiley ID 1423003