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

*Links on SpectraBase are not permalinks.

4-Pentene(dithioic) acid, 4-methyl-2-(1-methylethenyl)-, methyl ester

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

4-Pentene(dithioic) acid, 4-methyl-2-(1-methylethenyl)-, methyl ester
SpectraBase Compound ID J7T6ehBM1bj
InChI InChI=1S/C10H16S2/c1-7(2)6-9(8(3)4)10(11)12-5/h9H,1,3,6H2,2,4-5H3
InChIKey NQEKPOVKHJOJPS-UHFFFAOYSA-N
Mol Weight 200.36 g/mol
Molecular Formula C10H16S2
Exact Mass 200.069343 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID KhE3mG65rZF
Name 4-Pentene(dithioic) acid, 4-methyl-2-(1-methylethenyl)-, methyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 200.069342863 u
Formula C10H16S2
InChI InChI=1S/C10H16S2/c1-7(2)6-9(8(3)4)10(11)12-5/h9H,1,3,6H2,2,4-5H3
InChIKey NQEKPOVKHJOJPS-UHFFFAOYSA-N
Molecular Weight 200.358 g/mol
SMILES C(C(C(=C)C)CC(=C)C)(=S)SC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.970349