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S-(2-Oxoheptadecyl) methanesulphonothioate
SpectraBase Compound ID ARenVArpUGX
InChI InChI=1S/C18H36O3S2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(19)17-22-23(2,20)21/h3-17H2,1-2H3
InChIKey NACZKNPVBZILQZ-UHFFFAOYSA-N
Mol Weight 364.6 g/mol
Molecular Formula C18H36O3S2
Exact Mass 364.210587 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B0jK5aIdUrA
Name S-(2-Oxoheptadecyl) methanesulphonothioate
Alternate Name(s) S-(2-oxoheptadecyl) methanesulfonothioate
CAS Registry Number 76078-83-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H36O3S2
InChI InChI=1S/C18H36O3S2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(19)17-22-23(2,20)21/h3-17H2,1-2H3
InChIKey NACZKNPVBZILQZ-UHFFFAOYSA-N
Molecular Weight 364.603 g/mol
SMILES C(SS(=O)(=O)C)C(=O)CCCCCCCCCCCCCCC
SPLASH splash10-052s-9760000000-170c4269da3e394e7794
Source of Spectrum W5-1989-24687-1
Wiley ID 1350685