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

*Links on SpectraBase are not permalinks.
trans-β-Methyl-β-nitrostyrene
SpectraBase Compound ID LLgc8D40mTI
InChI InChI=1S/C9H9NO2/c1-8(10(11)12)7-9-5-3-2-4-6-9/h2-7H,1H3/b8-7+
InChIKey WGSVFWFSJDAYBM-BQYQJAHWSA-N
Mol Weight 163.18 g/mol
Molecular Formula C9H9NO2
Exact Mass 163.063329 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 8IJTMD9RgY4
Name (E) 1-Phenyl-2-nitroprop-1-ene
CAS Registry Number 705-60-2
Classification Designer drug precursor
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 163.063328532 u
Formula C9H9NO2
InChI InChI=1S/C9H9NO2/c1-8(10(11)12)7-9-5-3-2-4-6-9/h2-7H,1H3/b8-7+
InChIKey WGSVFWFSJDAYBM-BQYQJAHWSA-N
Ionization Type Chemical Ionization (CI)
Molecular Weight 163.176 g/mol
Nominal Mass 163 u
Reagent Gas Methane
Retention Index 1459
SMILES C=1(\C=C/([N+](=O)[O-])C)C=CC=CC1
SPLASH splash10-014i-1900000000-4fb0342b1156e1675993
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms trans-beta-Methyl-beta-nitrostyrene ((1E)-2-nitroprop-1-en-1-yl)benzene
Technique GC/MS
Wiley ID DD2024_003601