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2-Hydroxy-3-[(2-hydroxy-3-methoxycarbonyl-1-azulenyl)methyl]-1-azulenecarboxylic acid methyl ester
SpectraBase Compound ID DbCR1SjOrBb
InChI InChI=1S/C25H20O6/c1-30-24(28)20-16-11-7-3-5-9-14(16)18(22(20)26)13-19-15-10-6-4-8-12-17(15)21(23(19)27)25(29)31-2/h3-12,26-27H,13H2,1-2H3
InChIKey FRRBYHRUKQHQRQ-UHFFFAOYSA-N
Mol Weight 416.43 g/mol
Molecular Formula C25H20O6
Exact Mass 416.125988 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KXwdlqrbBvF
Name 2-Hydroxy-3-[(2-hydroxy-3-methoxycarbonyl-1-azulenyl)methyl]-1-azulenecarboxylic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H20O6
InChI InChI=1S/C25H20O6/c1-30-24(28)20-16-11-7-3-5-9-14(16)18(22(20)26)13-19-15-10-6-4-8-12-17(15)21(23(19)27)25(29)31-2/h3-12,26-27H,13H2,1-2H3
InChIKey FRRBYHRUKQHQRQ-UHFFFAOYSA-N
Molecular Weight 416.429 g/mol
SMILES Oc1c(Cc2c3c(c(c2O)C(=O)OC)ccccc3)c2c(c1C(=O)OC)ccccc2
SPLASH splash10-0gb9-0947300000-1d4245c99625acbc2ba2
Source of Spectrum AJ-64-2866-10
Synonyms 3-[(3-carbomethoxy-2-hydroxy-azulen-1-yl)methyl]-2-hydroxy-azulene-1-carboxylic acid methyl ester Methyl 2-hydroxy-3-[(2-hydroxy-3-methoxycarbonyl-azulen-1-yl)methyl]azulene-1-carboxylate Methyl 3-[(3-methoxycarbonyl-2-oxidanyl-azulen-1-yl)methyl]-2-oxidanyl-azulene-1-carboxylate
Wiley ID 1376467