For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
S-(3-Acetylthio-7-methoxycarbonylheptyl) O,O-dimethyl phosphorothioate
SpectraBase Compound ID IeYOteqpt0
InChI InChI=1S/C13H25O6PS2/c1-11(14)22-12(7-5-6-8-13(15)16-2)9-10-19-20(21,17-3)18-4/h12H,5-10H2,1-4H3/t12-/m0/s1
InChIKey TTYGPROIFMMNDX-LBPRGKRZSA-N
Mol Weight 372.43 g/mol
Molecular Formula C13H25O6PS2
Exact Mass 372.083018 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 2oktnMTIkWM
Name S-(3-Acetylthio-7-methoxycarbonylheptyl) O,O-dimethyl phosphorothioate
Alternate Name(s) Methyl (6S)-6-(acetylsulfanyl)-8-[(dimethoxyphosphorothioyl)oxy]octanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H25O6PS2
InChI InChI=1S/C13H25O6PS2/c1-11(14)22-12(7-5-6-8-13(15)16-2)9-10-19-20(21,17-3)18-4/h12H,5-10H2,1-4H3/t12-/m0/s1
InChIKey TTYGPROIFMMNDX-LBPRGKRZSA-N
Molecular Weight 372.431 g/mol
SMILES C(OP(=S)(OC)OC)C[C@@](SC(=O)C)(CCCCC(=O)OC)[H]
SPLASH splash10-006x-0891000000-33952f9cd817b25b2e7b
Source of Spectrum KQ-1984-525-0
Wiley ID 1355192