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1-[bis(3-methyl-1-azulenyl)methyl]-3-methylazulene
SpectraBase Compound ID 3HGOqAi3tCi
InChI InChI=1S/C34H28/c1-22-19-31(28-16-10-4-7-13-25(22)28)34(32-20-23(2)26-14-8-5-11-17-29(26)32)33-21-24(3)27-15-9-6-12-18-30(27)33/h4-21,34H,1-3H3
InChIKey BTEGEBZKAVGXDU-UHFFFAOYSA-N
Mol Weight 436.6 g/mol
Molecular Formula C34H28
Exact Mass 436.219101 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B4KUttWRb2g
Name 1-[bis(3-methyl-1-azulenyl)methyl]-3-methylazulene
Alternate Name(s) 1-[bis(3-methylazulen-1-yl)methyl]-3-methyl-azulene
CAS Registry Number 115349-84-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H28
InChI InChI=1S/C34H28/c1-22-19-31(28-16-10-4-7-13-25(22)28)34(32-20-23(2)26-14-8-5-11-17-29(26)32)33-21-24(3)27-15-9-6-12-18-30(27)33/h4-21,34H,1-3H3
InChIKey BTEGEBZKAVGXDU-UHFFFAOYSA-N
Molecular Weight 436.598 g/mol
SMILES c1(C(c2c3c(ccccc3)c(c2)C)c2c3c(ccccc3)c(c2)C)c2c(ccccc2)c(c1)C
SPLASH splash10-002r-1160900000-4c9fd5dde72439feec59
Source of Spectrum AJ-60-3727-1
Wiley ID 1383711