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

*Links on SpectraBase are not permalinks.
2-Methyl-4-(methylthio)-1,4-pentadiene-1,1,5,5-tetracarbonitrile
SpectraBase Compound ID KCfZHzYaD1Q
InChI InChI=1S/C11H8N4S/c1-8(9(4-12)5-13)3-11(16-2)10(6-14)7-15/h3H2,1-2H3
InChIKey UXLLLEOPPKFWAS-UHFFFAOYSA-N
Mol Weight 228.27 g/mol
Molecular Formula C11H8N4S
Exact Mass 228.046967 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 ITKotrZ4seQ
Name 2-Methyl-4-(methylthio)-1,4-pentadiene-1,1,5,5-tetracarbonitrile
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H8N4S
InChI InChI=1S/C11H8N4S/c1-8(9(4-12)5-13)3-11(16-2)10(6-14)7-15/h3H2,1-2H3
InChIKey UXLLLEOPPKFWAS-UHFFFAOYSA-N
Molecular Weight 228.273 g/mol
SMILES C(=C(CC(=C(C#N)C#N)SC)C)(C#N)C#N
SPLASH splash10-03fr-0090000000-381702fecada71465667
Source of Spectrum D8-325-282-10
Synonyms 2-methyl-4-(methylsulfanyl)-1,4-pentadiene-1,1,5,5-tetracarbonitrile
Wiley ID 1514347