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2-(2',3',4',5',6'-Pentamethylphenyl)azulene
SpectraBase Compound ID IRqW5wHcrr5
InChI InChI=1S/C21H22/c1-13-14(2)16(4)21(17(5)15(13)3)20-11-18-9-7-6-8-10-19(18)12-20/h6-12H,1-5H3
InChIKey ZXQDBBUCRQEEOB-UHFFFAOYSA-N
Mol Weight 274.41 g/mol
Molecular Formula C21H22
Exact Mass 274.172151 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KQB9UyjRPmv
Name 2-(2',3',4',5',6'-Pentamethylphenyl)azulene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22
InChI InChI=1S/C21H22/c1-13-14(2)16(4)21(17(5)15(13)3)20-11-18-9-7-6-8-10-19(18)12-20/h6-12H,1-5H3
InChIKey ZXQDBBUCRQEEOB-UHFFFAOYSA-N
Molecular Weight 274.407 g/mol
SMILES c1(-c2c(c(C)c(c(c2C)C)C)C)cc2cccccc2c1
SPLASH splash10-05dl-0090000000-89b3777b35bfc86f108d
Source of Spectrum H-84-1731-4
Synonyms 2-(2,3,4,5,6-Pentamethylphenyl)azulene
Wiley ID 847743