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1,3-Bis(4-methylbenzylidene)-4-methylcyclohexan-2-one
SpectraBase Compound ID FyItoBTpywz
InChI InChI=1S/C23H24O/c1-16-4-9-19(10-5-16)14-21-13-8-18(3)22(23(21)24)15-20-11-6-17(2)7-12-20/h4-7,9-12,14-15,18H,8,13H2,1-3H3/b21-14+,22-15-
InChIKey CJRMDBVDRTZPTR-TZKOODLUSA-N
Mol Weight 316.44 g/mol
Molecular Formula C23H24O
Exact Mass 316.182715 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 41M9FAuYHKd
Name 1,3-Bis(4-methylbenzylidene)-4-methylcyclohexan-2-one
Alternate Name(s) (2Z,6E)-3-methyl-2,6-bis(4-methylbenzylidene)cyclohexanone
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H24O
InChI InChI=1S/C23H24O/c1-16-4-9-19(10-5-16)14-21-13-8-18(3)22(23(21)24)15-20-11-6-17(2)7-12-20/h4-7,9-12,14-15,18H,8,13H2,1-3H3/b21-14+,22-15-
InChIKey CJRMDBVDRTZPTR-TZKOODLUSA-N
Molecular Weight 316.444 g/mol
SMILES C1(\C(C(CC\C1=C\c1ccc(cc1)C)C)=C/c1ccc(cc1)C)=O
SPLASH splash10-0uxr-0009000000-c1dff5204e70ab487e5b
Source of Spectrum SO-0-388-3
Wiley ID 1543091