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6-(4-butylphenyl)azulene-1,3-dicarboxylic acid diethyl ester
SpectraBase Compound ID CimVvUYdGsN
InChI InChI=1S/C26H28O4/c1-4-7-8-18-9-11-19(12-10-18)20-13-15-21-22(16-14-20)24(26(28)30-6-3)17-23(21)25(27)29-5-2/h9-17H,4-8H2,1-3H3
InChIKey JFHULTDWQRFFLR-UHFFFAOYSA-N
Mol Weight 404.51 g/mol
Molecular Formula C26H28O4
Exact Mass 404.198759 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6rJwq2o3VW4
Name 6-(4-butylphenyl)azulene-1,3-dicarboxylic acid diethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H28O4
InChI InChI=1S/C26H28O4/c1-4-7-8-18-9-11-19(12-10-18)20-13-15-21-22(16-14-20)24(26(28)30-6-3)17-23(21)25(27)29-5-2/h9-17H,4-8H2,1-3H3
InChIKey JFHULTDWQRFFLR-UHFFFAOYSA-N
Molecular Weight 404.506 g/mol
SMILES c1(cc(c2ccc(ccc12)-c1ccc(cc1)CCCC)C(=O)OCC)C(=O)OCC
SPLASH splash10-0zfr-0002900000-0b74fd7c3ea73dee4e04
Source of Spectrum K-2002-1904-19
Synonyms Diethyl 6-(4-butylphenyl)azulene-1,3-dicarboxylate
Wiley ID 1612973