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2-Nitro-1-phenylhex-4-ene-1-one
SpectraBase Compound ID GqQmujFOJiy
InChI InChI=1S/C12H13NO3/c1-2-3-9-11(13(15)16)12(14)10-7-5-4-6-8-10/h2-8,11H,9H2,1H3/b3-2+
InChIKey FLLBBOMKGICGPD-NSCUHMNNSA-N
Mol Weight 219.24 g/mol
Molecular Formula C12H13NO3
Exact Mass 219.089543 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ayu6UD2552m
Name 2-Nitro-1-phenylhex-4-ene-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13NO3
InChI InChI=1S/C12H13NO3/c1-2-3-9-11(13(15)16)12(14)10-7-5-4-6-8-10/h2-8,11H,9H2,1H3/b3-2+
InChIKey FLLBBOMKGICGPD-NSCUHMNNSA-N
Molecular Weight 219.240 g/mol
SMILES C(C(C\C=C\C)N(=O)=O)(=O)c1ccccc1
SPLASH splash10-0a4i-0900000000-3ea4cd1dda9e1cc10e20
Source of Spectrum KC-0-2034-4
Synonyms (4E)-2-nitro-1-phenyl-4-hexen-1-one (E)-2-Nitro-1-phenyl-hept-4-en-1-one
Wiley ID 781645