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Acetic acid, (heptylthio)-, ethyl ester
SpectraBase Compound ID FGHgdUjk7PA
InChI InChI=1S/C11H22O2S/c1-3-5-6-7-8-9-14-10-11(12)13-4-2/h3-10H2,1-2H3
InChIKey CXYFAPWYLWMPID-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 4ztIwXPA5kb
Name Acetic acid, (heptylthio)-, ethyl ester
Alternate Name(s) Ethyl (heptylsulfanyl)acetate 2-(heptylthio)acetic acid ethyl ester Ethyl (heptylthio)acetate Ethyl 2-heptylsulfanylacetate Ethyl 2-heptylsulfanylethanoate
CAS Registry Number 40814-21-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H22O2S
InChI InChI=1S/C11H22O2S/c1-3-5-6-7-8-9-14-10-11(12)13-4-2/h3-10H2,1-2H3
InChIKey CXYFAPWYLWMPID-UHFFFAOYSA-N
Molecular Weight 218.355 g/mol
SMILES C(CSCC(=O)OCC)CCCCC
SPLASH splash10-0buc-9200000000-b522da8bcba8ac10becb
Source of Spectrum SD-1981-0-0
Wiley ID 1217371