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1-[bis(3-tert-butyl-1-azulenyl)methyl]-3-tert-butylazulene
SpectraBase Compound ID Ay2lD1joZXm
InChI InChI=1S/C43H46/c1-41(2,3)37-25-34(28-19-13-10-16-22-31(28)37)40(35-26-38(42(4,5)6)32-23-17-11-14-20-29(32)35)36-27-39(43(7,8)9)33-24-18-12-15-21-30(33)36/h10-27,40H,1-9H3
InChIKey SNHUEENDSRDUIW-UHFFFAOYSA-N
Mol Weight 562.8 g/mol
Molecular Formula C43H46
Exact Mass 562.359951 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DV1z33b3GXZ
Name 1-[bis(3-tert-butyl-1-azulenyl)methyl]-3-tert-butylazulene
Comments Less than 3 mono-isotopic peaks
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Formula C43H46
InChI InChI=1S/C43H46/c1-41(2,3)37-25-34(28-19-13-10-16-22-31(28)37)40(35-26-38(42(4,5)6)32-23-17-11-14-20-29(32)35)36-27-39(43(7,8)9)33-24-18-12-15-21-30(33)36/h10-27,40H,1-9H3
InChIKey SNHUEENDSRDUIW-UHFFFAOYSA-N
Molecular Weight 562.841 g/mol
SMILES c1(C(c2c3c(ccccc3)c(c2)C(C)(C)C)c2c3c(ccccc3)c(c2)C(C)(C)C)c2c(ccccc2)c(c1)C(C)(C)C
SPLASH splash10-08fr-0000090000-6eeae9510f7b355ebeac
Source of Spectrum AJ-68-1427-9
Synonyms 1-[bis(3-tert-butylazulen-1-yl)methyl]-3-tert-butyl-azulene
Wiley ID 773292