For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
3,5-Hexadien-2-one, 5-methyl-6-(4-nitrophenyl)-
SpectraBase Compound ID CGotVUrNvVE
InChI InChI=1S/C13H13NO3/c1-10(3-4-11(2)15)9-12-5-7-13(8-6-12)14(16)17/h3-9H,1-2H3/b4-3+,10-9+
InChIKey VWOASYRNDLKAQP-SCPMJEMWSA-N
Mol Weight 231.25 g/mol
Molecular Formula C13H13NO3
Exact Mass 231.089543 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 6bOnYSUjDY7
Name 3,5-Hexadien-2-one, 5-methyl-6-(4-nitrophenyl)-
Alternate Name(s) (3E,5E)-5-Methyl-6-(4-nitrophenyl)-3,5-hexadien-2-one (3E,5E)-5-methyl-6-(4-nitrophenyl)-2-hexa-3,5-dienone (3E,5E)-5-methyl-6-(4-nitrophenyl)hexa-3,5-dien-2-one
CAS Registry Number 55191-23-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13NO3
InChI InChI=1S/C13H13NO3/c1-10(3-4-11(2)15)9-12-5-7-13(8-6-12)14(16)17/h3-9H,1-2H3/b4-3+,10-9+
InChIKey VWOASYRNDLKAQP-SCPMJEMWSA-N
Molecular Weight 231.251 g/mol
SMILES CC(=O)\C=C\C(C)=C\c1ccc(cc1)N(=O)=O
SPLASH splash10-00l6-4940000000-8435a8cd5eb362c5c09b
Source of Spectrum TA-0-61-0
Wiley ID 31081