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

*Links on SpectraBase are not permalinks.
1,3-Cyclohexanedione, 4-(2-nitroethyl)-
SpectraBase Compound ID BGLFp7fkW6A
InChI InChI=1S/C8H11NO4/c10-7-2-1-6(8(11)5-7)3-4-9(12)13/h6H,1-5H2
InChIKey LFQVNEZBZHOZJC-UHFFFAOYSA-N
Mol Weight 185.18 g/mol
Molecular Formula C8H11NO4
Exact Mass 185.068808 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 Liw3Hm41Fcx
Name 1,3-Cyclohexanedione, 4-(2-nitroethyl)-
CAS Registry Number 129611-11-6
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H11NO4
InChI InChI=1S/C8H11NO4/c10-7-2-1-6(8(11)5-7)3-4-9(12)13/h6H,1-5H2
InChIKey LFQVNEZBZHOZJC-UHFFFAOYSA-N
Molecular Weight 185.179 g/mol
SMILES C(N(=O)=O)CC1C(CC(CC1)=O)=O
SPLASH splash10-004r-9500000000-c1db36c3383c01a62ff1
Source of Spectrum KC-1990-1404-5
Synonyms 4-(2'-Nitroethyl)cyclohexane-1,3-dione 4-(2-nitroethyl)-1,3-cyclohexanedione
Wiley ID 1181761