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3-[bis(3-carbomethoxyazulen-1-yl)methyl]azulene-1-carboxylic acid methyl ester
SpectraBase Compound ID 7jwIk9OQvHZ
InChI InChI=1S/C37H28O6/c1-41-35(38)31-19-28(22-13-7-4-10-16-25(22)31)34(29-20-32(36(39)42-2)26-17-11-5-8-14-23(26)29)30-21-33(37(40)43-3)27-18-12-6-9-15-24(27)30/h4-21,34H,1-3H3
InChIKey UQZZFWCTYZGQFS-UHFFFAOYSA-N
Mol Weight 568.6 g/mol
Molecular Formula C37H28O6
Exact Mass 568.188589 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FonyBkNxWVI
Name 3-[bis(3-carbomethoxyazulen-1-yl)methyl]azulene-1-carboxylic acid methyl ester
Alternate Name(s) 3-[bis(3-methoxycarbonyl-1-azulenyl)methyl]-1-azulenecarboxylic acid methyl ester Methyl 3-[bis(3-methoxycarbonylazulen-1-yl)methyl]azulene-1-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C37H28O6
InChI InChI=1S/C37H28O6/c1-41-35(38)31-19-28(22-13-7-4-10-16-25(22)31)34(29-20-32(36(39)42-2)26-17-11-5-8-14-23(26)29)30-21-33(37(40)43-3)27-18-12-6-9-15-24(27)30/h4-21,34H,1-3H3
InChIKey UQZZFWCTYZGQFS-UHFFFAOYSA-N
Molecular Weight 568.625 g/mol
SMILES c1(C(c2c3c(ccccc3)c(c2)C(=O)OC)c2c3c(ccccc3)c(c2)C(=O)OC)c2c(ccccc2)c(c1)C(=O)OC
SPLASH splash10-06di-0014090000-7a08b18133df5902d111
Source of Spectrum AJ-68-1427-9
Wiley ID 773295