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3-[bis(3-tert-butyl-1-azulenyl)methyl]-1-azulenecarboxylic acid methyl ester
SpectraBase Compound ID JdXCSCkvssZ
InChI InChI=1S/C41H40O2/c1-40(2,3)36-24-33(28-19-13-9-15-21-30(28)36)38(32-23-35(39(42)43-7)27-18-12-8-11-17-26(27)32)34-25-37(41(4,5)6)31-22-16-10-14-20-29(31)34/h8-25,38H,1-7H3
InChIKey VUGTZURTKVYVDZ-UHFFFAOYSA-N
Mol Weight 564.8 g/mol
Molecular Formula C41H40O2
Exact Mass 564.302831 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 33HBIsWDtQ
Name 3-[bis(3-tert-butyl-1-azulenyl)methyl]-1-azulenecarboxylic acid methyl ester
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Formula C41H40O2
InChI InChI=1S/C41H40O2/c1-40(2,3)36-24-33(28-19-13-9-15-21-30(28)36)38(32-23-35(39(42)43-7)27-18-12-8-11-17-26(27)32)34-25-37(41(4,5)6)31-22-16-10-14-20-29(31)34/h8-25,38H,1-7H3
InChIKey VUGTZURTKVYVDZ-UHFFFAOYSA-N
Molecular Weight 564.769 g/mol
SMILES c1(C(c2c3c(ccccc3)c(c2)C(C)(C)C)c2c3c(ccccc3)c(c2)C(=O)OC)c2c(ccccc2)c(c1)C(C)(C)C
SPLASH splash10-0aor-0500090000-b8d6fc7e01caf560599e
Source of Spectrum AJ-68-2014-6
Synonyms 3-[bis(3-tert-butylazulen-1-yl)methyl]azulene-1-carboxylic acid methyl ester Methyl 3-[bis(3-tert-butylazulen-1-yl)methyl]azulene-1-carboxylate
Wiley ID 773432