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

*Links on SpectraBase are not permalinks.
Azulene, 1,4-dimethyl-7-(1-methylethyl)-3-(2-nitroethyl)-
SpectraBase Compound ID FdS1wrWSMAW
InChI InChI=1S/C17H21NO2/c1-11(2)14-6-5-12(3)17-15(7-8-18(19)20)9-13(4)16(17)10-14/h5-6,9-11H,7-8H2,1-4H3
InChIKey GGBYOWQTRYEGPI-UHFFFAOYSA-N
Mol Weight 271.36 g/mol
Molecular Formula C17H21NO2
Exact Mass 271.157229 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 1LoLx6n4oWc
Name Azulene, 1,4-dimethyl-7-(1-methylethyl)-3-(2-nitroethyl)-
CAS Registry Number 96995-20-9
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H21NO2
InChI InChI=1S/C17H21NO2/c1-11(2)14-6-5-12(3)17-15(7-8-18(19)20)9-13(4)16(17)10-14/h5-6,9-11H,7-8H2,1-4H3
InChIKey GGBYOWQTRYEGPI-UHFFFAOYSA-N
Molecular Weight 271.360 g/mol
SMILES c12c(c(CCN(=O)=O)cc2C)c(ccc(c1)C(C)C)C
SPLASH splash10-024i-0090000000-3d76b8e8d8996a3dbc8a
Source of Spectrum AJ-58-371-4
Synonyms 1-(2-Nitroethyl)-guaiazulene 7-isopropyl-1,4-dimethyl-3-(2-nitroethyl)azulene
Wiley ID 1275443