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(E)-(3-(nitromethyl)hex-4-en-1-yn-1-yl)benzene

View entire compound with spectra: 1 MS (GC)

(E)-(3-(nitromethyl)hex-4-en-1-yn-1-yl)benzene
SpectraBase Compound ID J0H5OmAyBbh
InChI InChI=1S/C13H13NO2/c1-2-6-13(11-14(15)16)10-9-12-7-4-3-5-8-12/h2-8,13H,11H2,1H3/b6-2+
InChIKey WTQGSMHKKOSOFE-QHHAFSJGSA-N
Mol Weight 215.25 g/mol
Molecular Formula C13H13NO2
Exact Mass 215.094629 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FTyWtaHo5yi
Name (E)-(3-(nitromethyl)hex-4-en-1-yn-1-yl)benzene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13NO2
InChI InChI=1S/C13H13NO2/c1-2-6-13(11-14(15)16)10-9-12-7-4-3-5-8-12/h2-8,13H,11H2,1H3/b6-2+
InChIKey WTQGSMHKKOSOFE-QHHAFSJGSA-N
Literature Reference DOI 10.1021/ol500114m
Molecular Weight 215.252 g/mol
SMILES C\C=C\C(C#Cc1ccccc1)C[N+](=O)[O-]
SPLASH splash10-0v03-2900000000-987248e3bbf45545e935
Source of Spectrum A1-16-1362/SMS17-2t
Wiley ID 1749198