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Azulene, 3-(2,4-dinitrobutyl)-1,4-dimethyl-7-(1-methylethyl)-
SpectraBase Compound ID 3AOxdrwxs7e
InChI InChI=1S/C19H24N2O4/c1-12(2)15-6-5-13(3)19-16(9-14(4)18(19)11-15)10-17(21(24)25)7-8-20(22)23/h5-6,9,11-12,17H,7-8,10H2,1-4H3
InChIKey UPEMYLWMUQWRIB-UHFFFAOYSA-N
Mol Weight 344.41 g/mol
Molecular Formula C19H24N2O4
Exact Mass 344.173607 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1RZw0OdgFtj
Name Azulene, 3-(2,4-dinitrobutyl)-1,4-dimethyl-7-(1-methylethyl)-
CAS Registry Number 96995-23-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H24N2O4
InChI InChI=1S/C19H24N2O4/c1-12(2)15-6-5-13(3)19-16(9-14(4)18(19)11-15)10-17(21(24)25)7-8-20(22)23/h5-6,9,11-12,17H,7-8,10H2,1-4H3
InChIKey UPEMYLWMUQWRIB-UHFFFAOYSA-N
Molecular Weight 344.411 g/mol
SMILES c12c(c(CC(N(=O)=O)CCN(=O)=O)cc2C)c(ccc(c1)C(C)C)C
SPLASH splash10-03di-0094000000-9085f618a059abcbec87
Source of Spectrum AJ-58-371-7
Synonyms 1-(2,4-Dinitrobutyl)guaiazulene 3-(2,4-dinitrobutyl)-7-isopropyl-1,4-dimethylazulene
Wiley ID 1337940