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

*Links on SpectraBase are not permalinks.
5-Hepten-2-one, 3-methyl-7-(nitrooxy)-, (E)-
SpectraBase Compound ID 1eO7mq3y9M8
InChI InChI=1S/C8H13NO4/c1-7(8(2)10)5-3-4-6-13-9(11)12/h3-4,7H,5-6H2,1-2H3/b4-3+
InChIKey PKCPTJDZWBPXST-ONEGZZNKSA-N
Mol Weight 187.19 g/mol
Molecular Formula C8H13NO4
Exact Mass 187.084458 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 2H8BE4aTzM4
Name 5-Hepten-2-one, 3-methyl-7-(nitrooxy)-, (E)-
Alternate Name(s) (2E)-5-methyl-6-oxo-2-heptenyl nitrate 5-Methyl-6-oxo-2(E)-hepten-1-ol nitrate Nitric acid[(E)-5-methyl-6-oxohept-2-enyl]ester Nitric acid[(E)-6-keto-5-methyl-hept-2-enyl]ester [(E)-5-methyl-6-oxidanylidene-hept-2-enyl]nitrate [(E)-5-methyl-6-oxo-hept-2-enyl]nitrate Nitric acid [(E)-5-methyl-6-oxohept-2-enyl] ester [(E)-5-methyl-6-oxohept-2-enyl] nitrate [(E)-5-methyl-6-oxo-hept-2-enyl] nitrate [(E)-5-methyl-6-oxidanylidene-hept-2-enyl] nitrate
CAS Registry Number 100431-92-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H13NO4
InChI InChI=1S/C8H13NO4/c1-7(8(2)10)5-3-4-6-13-9(11)12/h3-4,7H,5-6H2,1-2H3/b4-3+
InChIKey PKCPTJDZWBPXST-ONEGZZNKSA-N
Molecular Weight 187.195 g/mol
SMILES C(ON(=O)=O)\C=C\CC(C(=O)C)C
SPLASH splash10-0006-9100000000-2a7874b00c63eadd3071
Source of Spectrum J-51-1648-8
Wiley ID 1183676