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3-[(3-carbomethoxyazulen-1-yl)-phenyl-methyl]azulene-1-carboxylic acid methyl ester
SpectraBase Compound ID CAxKXnY3fKT
InChI InChI=1S/C31H24O4/c1-34-30(32)27-18-25(21-14-8-4-10-16-23(21)27)29(20-12-6-3-7-13-20)26-19-28(31(33)35-2)24-17-11-5-9-15-22(24)26/h3-19,29H,1-2H3
InChIKey ILNMHWDXJCHQCW-UHFFFAOYSA-N
Mol Weight 460.53 g/mol
Molecular Formula C31H24O4
Exact Mass 460.167459 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AvOjmvfGy6t
Name 3-[(3-carbomethoxyazulen-1-yl)-phenyl-methyl]azulene-1-carboxylic acid methyl ester
Alternate Name(s) 3-[(3-methoxycarbonyl-1-azulenyl)-phenylmethyl]-1-azulenecarboxylic acid methyl ester Methyl 3-[(3-methoxycarbonylazulen-1-yl)-phenyl-methyl]azulene-1-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H24O4
InChI InChI=1S/C31H24O4/c1-34-30(32)27-18-25(21-14-8-4-10-16-23(21)27)29(20-12-6-3-7-13-20)26-19-28(31(33)35-2)24-17-11-5-9-15-22(24)26/h3-19,29H,1-2H3
InChIKey ILNMHWDXJCHQCW-UHFFFAOYSA-N
Molecular Weight 460.529 g/mol
SMILES c1(c2c(ccccc2)c(c1)C(=O)OC)C(c1c2c(ccccc2)c(c1)C(=O)OC)c1ccccc1
SPLASH splash10-0il0-7001900000-c46bba287f5d98b8d778
Source of Spectrum AJ-68-1430-10
Wiley ID 773287