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Azulene, 1,1'-methylenebis[4,6,8-trimethyl-
SpectraBase Compound ID DiecBaV5fhR
InChI InChI=1S/C27H28/c1-16-11-18(3)24-9-7-22(26(24)20(5)13-16)15-23-8-10-25-19(4)12-17(2)14-21(6)27(23)25/h7-14H,15H2,1-6H3
InChIKey RFWYISAWTKISEK-UHFFFAOYSA-N
Mol Weight 352.52 g/mol
Molecular Formula C27H28
Exact Mass 352.219101 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5pctLVVl2Le
Name Azulene, 1,1'-methylenebis[4,6,8-trimethyl-
Alternate Name(s) 1,1'-Methylenebis(4,6,8-trimethylazulene) 4,6,8-trimethyl-1-[(4,6,8-trimethyl-1-azulenyl)methyl]azulene
CAS Registry Number 112312-87-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H28
InChI InChI=1S/C27H28/c1-16-11-18(3)24-9-7-22(26(24)20(5)13-16)15-23-8-10-25-19(4)12-17(2)14-21(6)27(23)25/h7-14H,15H2,1-6H3
InChIKey RFWYISAWTKISEK-UHFFFAOYSA-N
Molecular Weight 352.521 g/mol
SMILES c12c(c(cc(cc2C)C)C)ccc1Cc1c2c(c(cc(cc2C)C)C)cc1
SPLASH splash10-0ff0-0904000000-dd969a02df7e680dcf31
Source of Spectrum AJ-60-1426-2
Wiley ID 1343752