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

*Links on SpectraBase are not permalinks.
1-Nitro-2-phenylheptan-4-one
SpectraBase Compound ID LhpoeJCt9aZ
InChI InChI=1S/C13H17NO3/c1-2-6-13(15)9-12(10-14(16)17)11-7-4-3-5-8-11/h3-5,7-8,12H,2,6,9-10H2,1H3
InChIKey PVHJOPDNUPIBGU-UHFFFAOYSA-N
Mol Weight 235.28 g/mol
Molecular Formula C13H17NO3
Exact Mass 235.120843 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 9kyOwf5fJHC
Name 1-Nitro-2-phenylheptan-4-one
Comments Removed - expert review: contamination (CH2Cl2); A corrected record has been addded having SpectrumID: 1821261
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17NO3
InChI InChI=1S/C13H17NO3/c1-2-6-13(15)9-12(10-14(16)17)11-7-4-3-5-8-11/h3-5,7-8,12H,2,6,9-10H2,1H3
InChIKey PVHJOPDNUPIBGU-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.200404037
Molecular Weight 235.283 g/mol
SMILES C(C(CC(C[N+](=O)[O-])c1ccccc1)=O)CC
SPLASH splash10-00e9-9300000000-260ebdff589c140f6665
Source of Spectrum ASC-346-1160-7c
Wiley ID 1767667