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1-benzhydryl-3-tert-butyl-azulene
SpectraBase Compound ID EMJApS1dkKF
InChI InChI=1S/C27H26/c1-27(2,3)25-19-24(22-17-11-6-12-18-23(22)25)26(20-13-7-4-8-14-20)21-15-9-5-10-16-21/h4-19,26H,1-3H3
InChIKey ZMYGVXOHJJUSOZ-UHFFFAOYSA-N
Mol Weight 350.51 g/mol
Molecular Formula C27H26
Exact Mass 350.203451 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2jDXA58MnbX
Name 1-benzhydryl-3-tert-butyl-azulene
Comments Less than 3 mono-isotopic peaks
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Formula C27H26
InChI InChI=1S/C27H26/c1-27(2,3)25-19-24(22-17-11-6-12-18-23(22)25)26(20-13-7-4-8-14-20)21-15-9-5-10-16-21/h4-19,26H,1-3H3
InChIKey ZMYGVXOHJJUSOZ-UHFFFAOYSA-N
Molecular Weight 350.505 g/mol
SMILES c1(c2c(ccccc2)c(c1)C(C)(C)C)C(c1ccccc1)c1ccccc1
SPLASH splash10-0f79-0009000000-5ffd12956a822933d1df
Source of Spectrum AJ-68-1433-11
Synonyms 1-tert-butyl-3-(diphenylmethyl)azulene
Wiley ID 773279