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Diethyl 6-(4-nitrophenyl)azulene-1,3-dicarboxylate
SpectraBase Compound ID DRJMdTo1qNt
InChI InChI=1S/C22H19NO6/c1-3-28-21(24)19-13-20(22(25)29-4-2)18-12-8-15(7-11-17(18)19)14-5-9-16(10-6-14)23(26)27/h5-13H,3-4H2,1-2H3
InChIKey LVNGPPIOFFULLN-UHFFFAOYSA-N
Mol Weight 393.4 g/mol
Molecular Formula C22H19NO6
Exact Mass 393.121237 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EUuwmlM2yyz
Name Diethyl 6-(4-nitrophenyl)azulene-1,3-dicarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H19NO6
InChI InChI=1S/C22H19NO6/c1-3-28-21(24)19-13-20(22(25)29-4-2)18-12-8-15(7-11-17(18)19)14-5-9-16(10-6-14)23(26)27/h5-13H,3-4H2,1-2H3
InChIKey LVNGPPIOFFULLN-UHFFFAOYSA-N
Molecular Weight 393.395 g/mol
SMILES c1(cc(c2ccc(ccc12)-c1ccc(cc1)N(=O)=O)C(=O)OCC)C(=O)OCC
SPLASH splash10-0006-0009000000-2aa1219dc6070138dc91
Source of Spectrum K-2002-1902-9
Synonyms 6-(4-nitrophenyl)azulene-1,3-dicarboxylic acid diethyl ester
Wiley ID 1612985