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1-(4-Nitrophenyl)-1,3-heptadiene
SpectraBase Compound ID 51S7y3HVbcL
InChI InChI=1S/C13H15NO2/c1-2-3-4-5-6-7-12-8-10-13(11-9-12)14(15)16/h4-11H,2-3H2,1H3/b5-4+,7-6-
InChIKey CLBDSAOGSBTQSR-DEQVHDEQSA-N
Mol Weight 217.27 g/mol
Molecular Formula C13H15NO2
Exact Mass 217.110279 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID As8R9aQwvY4
Name 1-(4-Nitrophenyl)-1,3-heptadiene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H15NO2
InChI InChI=1S/C13H15NO2/c1-2-3-4-5-6-7-12-8-10-13(11-9-12)14(15)16/h4-11H,2-3H2,1H3/b5-4+,7-6-
InChIKey CLBDSAOGSBTQSR-DEQVHDEQSA-N
Literature Reference DOI 10.1021/jo300929a
Molecular Weight 217.268 g/mol
SMILES c1cc(ccc1[N+](=O)[O-])\C=C/C=C/CCC
SPLASH splash10-00kf-0910000000-adc2c585c92834e122a1
Source of Spectrum J-77-6362-13l
Synonyms 1-[(1Z,3E)-1,3-heptadienyl]-4-nitrobenzene 1-((1Z,3E)-hepta-1,3-dien-1-yl)-4-nitrobenzene 1-[(1Z,3E)-hepta-1,3-dienyl]-4-nitrobenzene
Wiley ID 1745187