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(Z)-1-(4-iso-Propylphenyl)-2-nitrobut-1-ene
SpectraBase Compound ID BSD739VpiC8
InChI InChI=1S/C13H17NO2/c1-4-13(14(15)16)9-11-5-7-12(8-6-11)10(2)3/h5-10H,4H2,1-3H3/b13-9-
InChIKey MGDJODBXMTWKNC-LCYFTJDESA-N
Mol Weight 219.28 g/mol
Molecular Formula C13H17NO2
Exact Mass 219.125929 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JGIHQqvtfGa
Name (Z)-1-(4-iso-Propylphenyl)-2-nitrobut-1-ene
Classification Designer drug precursor
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 219.125928789 u
Formula C13H17NO2
InChI InChI=1S/C13H17NO2/c1-4-13(14(15)16)9-11-5-7-12(8-6-11)10(2)3/h5-10H,4H2,1-3H3/b13-9-
InChIKey MGDJODBXMTWKNC-LCYFTJDESA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 219.284 g/mol
Nominal Mass 219 u
Quality 965
Retention Index 1684
SMILES C=1(C=CC(\C=C\([N+](=O)[O-])CC)=CC1)C(C)C
SPLASH splash10-002f-6900000000-6809abf704c1c8c43a2c
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 1-((1Z)-2-nitrobut-1-en-1-yl)-4-(propan-2-yl)benzene
Technique GC/MS
Wiley ID DD2024_007259