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1-Methyl-4-[(1Z)-2-nitro-1-propenyl]benzene
SpectraBase Compound ID 28r5g447m1b
InChI InChI=1S/C10H11NO2/c1-8-3-5-10(6-4-8)7-9(2)11(12)13/h3-7H,1-2H3/b9-7-
InChIKey JEKFDNFWPBWEKO-CLFYSBASSA-N
Mol Weight 177.2 g/mol
Molecular Formula C10H11NO2
Exact Mass 177.078979 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GYZHpZFGQPw
Name 1-(4-Methylphenyl)-2-nitroprop-1-ene I
Classification Designer drug precursor
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 177.078978596 u
Formula C10H11NO2
InChI InChI=1S/C10H11NO2/c1-8-3-5-10(6-4-8)7-9(2)11(12)13/h3-7H,1-2H3/b9-7-
InChIKey JEKFDNFWPBWEKO-CLFYSBASSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 177.203 g/mol
Nominal Mass 177 u
Quality 990
Retention Index 1350
SMILES C=1(\C=C\([N+](=O)[O-])C)C=CC(=CC1)C
SPLASH splash10-014i-9800000000-c6b8992311e4161334b8
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 4-Methyl-beta-methyl-beta-nitrostyrene 1-methyl-4-((1Z)-2-nitroprop-1-en-1-yl)benzene
Technique GC/MS
Wiley ID DD2024_002370