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Diethyl 6-(n-heptanoyl)azulene-1,3-dicarboxylate
SpectraBase Compound ID HgWRQOFS26K
InChI InChI=1S/C23H28O5/c1-4-7-8-9-10-21(24)16-11-13-17-18(14-12-16)20(23(26)28-6-3)15-19(17)22(25)27-5-2/h11-15H,4-10H2,1-3H3
InChIKey ZKBCMAICRZHWPE-UHFFFAOYSA-N
Mol Weight 384.47 g/mol
Molecular Formula C23H28O5
Exact Mass 384.193674 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GDTlsEG5svn
Name Diethyl 6-(n-heptanoyl)azulene-1,3-dicarboxylate
Alternate Name(s) Diethyl 6-heptanoyl-1,3-azulenedicarboxylate 6-(1-oxoheptyl)azulene-1,3-dicarboxylic acid diethyl ester Diethyl 6-heptanoylazulene-1,3-dicarboxylate
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Formula C23H28O5
InChI InChI=1S/C23H28O5/c1-4-7-8-9-10-21(24)16-11-13-17-18(14-12-16)20(23(26)28-6-3)15-19(17)22(25)27-5-2/h11-15H,4-10H2,1-3H3
InChIKey ZKBCMAICRZHWPE-UHFFFAOYSA-N
Molecular Weight 384.472 g/mol
SMILES c1(cc(c2ccc(ccc12)C(CCCCCC)=O)C(=O)OCC)C(=O)OCC
SPLASH splash10-001i-0009000000-418e4c8a2c10fa67bb5a
Source of Spectrum K-2002-1903-10
Wiley ID 1612977