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(E)-1-Methyl-3-(4-nitrobut-3-en-1-yn-1-yl)benzene

View entire compound with spectra: 1 MS (GC)

(E)-1-Methyl-3-(4-nitrobut-3-en-1-yn-1-yl)benzene
SpectraBase Compound ID DDzUJcyghIe
InChI InChI=1S/C11H9NO2/c1-10-5-4-7-11(9-10)6-2-3-8-12(13)14/h3-5,7-9H,1H3/b8-3+
InChIKey QKUIPKALNKTOPT-FPYGCLRLSA-N
Mol Weight 187.2 g/mol
Molecular Formula C11H9NO2
Exact Mass 187.063329 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 36b5f9Vnvs
Name (E)-1-Methyl-3-(4-nitrobut-3-en-1-yn-1-yl)benzene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H9NO2
InChI InChI=1S/C11H9NO2/c1-10-5-4-7-11(9-10)6-2-3-8-12(13)14/h3-5,7-9H,1H3/b8-3+
InChIKey QKUIPKALNKTOPT-FPYGCLRLSA-N
Literature Reference DOI 10.1039/c4cc09495f
Molecular Weight 187.198 g/mol
SMILES c1cc(C#C\C=C\[N+](=O)[O-])cc(c1)C
SPLASH splash10-000l-0900000000-15174ceaccef77d33510
Source of Spectrum KD-51-2266/SM-1e
Wiley ID 1757564