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1,3-Bis(4-methylbenzylidene)-4-methylcyclohexan-2-one

View entire compound with spectra: 1 NMR, and 1 MS (GC)

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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IjBOAUw8xZW
Name 1,3-bis(4-Methylbenzylidene)-4-methylcyclohexan-2-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 316.182715392 u
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\C1=CC=C(C=C1)C)C)=C/C1=CC=C(C=C1)C)=O