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(E)-(4-Nitrobut-3-en-1-yn-1-yl)benzene

View entire compound with spectra: 1 MS (GC)

(E)-(4-Nitrobut-3-en-1-yn-1-yl)benzene
SpectraBase Compound ID H45Ivyau8yW
InChI InChI=1S/C10H7NO2/c12-11(13)9-5-4-8-10-6-2-1-3-7-10/h1-3,5-7,9H/b9-5+
InChIKey MWLPHEDZKOFEFD-WEVVVXLNSA-N
Mol Weight 173.17 g/mol
Molecular Formula C10H7NO2
Exact Mass 173.047678 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2H679JeV3Vd
Name (E)-(4-Nitrobut-3-en-1-yn-1-yl)benzene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H7NO2
InChI InChI=1S/C10H7NO2/c12-11(13)9-5-4-8-10-6-2-1-3-7-10/h1-3,5-7,9H/b9-5+
InChIKey MWLPHEDZKOFEFD-WEVVVXLNSA-N
Literature Reference DOI 10.1039/c4cc09495f
Molecular Weight 173.171 g/mol
SMILES c1cccc(C#C\C=C\[N+](=O)[O-])c1
SPLASH splash10-004i-1900000000-167735ad55f45de5e41f
Source of Spectrum KD-51-2266/SM-1a
Wiley ID 1757560