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3-Sulfanylheptyl acetate

View entire compound with spectra: 1 MS (GC)

3-Sulfanylheptyl acetate
SpectraBase Compound ID GBdyH4CBx6I
InChI InChI=1S/C9H18O2S/c1-3-4-5-9(12)6-7-11-8(2)10/h9,12H,3-7H2,1-2H3
InChIKey JWESHEXXXWDVAQ-UHFFFAOYSA-N
Mol Weight 190.3 g/mol
Molecular Formula C9H18O2S
Exact Mass 190.102751 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6sEebnn4G0r
Name 3-Sulfanylheptyl acetate
Alternate Name(s) 3-Mercaptoheptyl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H18O2S
InChI InChI=1S/C9H18O2S/c1-3-4-5-9(12)6-7-11-8(2)10/h9,12H,3-7H2,1-2H3
InChIKey JWESHEXXXWDVAQ-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cbdv.200690103
Molecular Weight 190.301 g/mol
SMILES SC(CCCC)CCOC(=O)C
SPLASH splash10-059f-9100000000-50f571a5a8592e745f9e
Source of Spectrum CBD-3-946-16
Wiley ID 1793312