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

*Links on SpectraBase are not permalinks.
1-(4-Methylthiophenyl)-2-nitrobut-1-ene II
SpectraBase Compound ID 5QlNKhX129G
InChI InChI=1S/C11H13NO2S/c1-3-10(12(13)14)8-9-4-6-11(15-2)7-5-9/h4-8H,3H2,1-2H3/b10-8-
InChIKey DVJHNYGDTHKZJW-NTMALXAHSA-N
Mol Weight 223.29 g/mol
Molecular Formula C11H13NO2S
Exact Mass 223.0667 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 JwnJnbtNt26
Name 1-(4-Methylthiophenyl)-2-nitrobut-1-ene II
Classification Designer drug precursor
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 223.066699835 u
Formula C11H13NO2S
InChI InChI=1S/C11H13NO2S/c1-3-10(12(13)14)8-9-4-6-11(15-2)7-5-9/h4-8H,3H2,1-2H3/b10-8-
InChIKey DVJHNYGDTHKZJW-NTMALXAHSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 223.290 g/mol
Nominal Mass 223 u
Quality 994
Retention Index 1630
SMILES C=1(\C=C\([N+](=O)[O-])CC)C=CC(=CC1)SC
SPLASH splash10-004i-2910000000-b7d9cfe0640a79c8e9ef
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 4-Methylthio-beta-ethyl-beta-nitrostyrene II 1-methylthio-4-(2-nitrobut-1-en-1-yl)benzene
Technique GC/MS
Wiley ID DD2024_004777