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2,3,4,5,7,7-Hexamethyl-1,3,5-cycloheptatriene
SpectraBase Compound ID LAyq0oFMz0V
InChI InChI=1S/C13H20/c1-9-7-13(5,6)8-10(2)12(4)11(9)3/h7-8H,1-6H3
InChIKey OBJMPCZLQCFZKG-UHFFFAOYSA-N
Mol Weight 176.3 g/mol
Molecular Formula C13H20
Exact Mass 176.156501 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AfQxByPgJdA
Name 2,3,4,5,7,7-Hexamethyl-1,3,5-cycloheptatriene
CAS Registry Number 74779-68-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20
InChI InChI=1S/C13H20/c1-9-7-13(5,6)8-10(2)12(4)11(9)3/h7-8H,1-6H3
InChIKey OBJMPCZLQCFZKG-UHFFFAOYSA-N
Molecular Weight 176.303 g/mol
SMILES CC1=CC(C=C(C)C(=C1C)C)(C)C
SPLASH splash10-03di-2900000000-b125d5c9aad9079aa24c
Source of Spectrum HE-1982-0-0
Synonyms 1,3,5-Cycloheptatriene, 2,3,4,5,7,7-hexamethyl- 2,3,4,5,7,7-hexamethylcyclohepta-1,3,5-triene
Wiley ID 1172881