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3-Sulfanylhexyl hexanoate

View entire compound with spectra: 1 MS (GC)

3-Sulfanylhexyl hexanoate
SpectraBase Compound ID LFaFLAhGBS4
InChI InChI=1S/C12H24O2S/c1-3-5-6-8-12(13)14-10-9-11(15)7-4-2/h11,15H,3-10H2,1-2H3
InChIKey KVXKOWZLYWBURN-UHFFFAOYSA-N
Mol Weight 232.38 g/mol
Molecular Formula C12H24O2S
Exact Mass 232.149701 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID nM4dIy03qm
Name 3-Sulfanylhexyl hexanoate
Alternate Name(s) 3-Mercaptohexyl hexanoate
CAS Registry Number 136954-22-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H24O2S
InChI InChI=1S/C12H24O2S/c1-3-5-6-8-12(13)14-10-9-11(15)7-4-2/h11,15H,3-10H2,1-2H3
InChIKey KVXKOWZLYWBURN-UHFFFAOYSA-N
Molecular Weight 232.382 g/mol
SMILES SC(CCC)CCOC(CCCCC)=O
SPLASH splash10-052o-9000000000-9ab59641a91a6de98351
Source of Spectrum NP-6-279-0
Wiley ID 1105399