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1,3-Bis(4-methylbenzylidene)-4-phenylcyclohexan-2-one
SpectraBase Compound ID 6THVKbvHUnR
InChI InChI=1S/C28H26O/c1-20-8-12-22(13-9-20)18-25-16-17-26(24-6-4-3-5-7-24)27(28(25)29)19-23-14-10-21(2)11-15-23/h3-15,18-19,26H,16-17H2,1-2H3/b25-18+,27-19-
InChIKey AEILDOJOBFGGQP-CVRWBSSWSA-N
Mol Weight 378.52 g/mol
Molecular Formula C28H26O
Exact Mass 378.198365 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GhuKUyxu7F2
Name 1,3-Bis(4-methylbenzylidene)-4-phenylcyclohexan-2-one
Alternate Name(s) (2Z,6E)-2,6-bis(4-methylbenzylidene)-3-phenylcyclohexanone
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H26O
InChI InChI=1S/C28H26O/c1-20-8-12-22(13-9-20)18-25-16-17-26(24-6-4-3-5-7-24)27(28(25)29)19-23-14-10-21(2)11-15-23/h3-15,18-19,26H,16-17H2,1-2H3/b25-18+,27-19-
InChIKey AEILDOJOBFGGQP-CVRWBSSWSA-N
Molecular Weight 378.515 g/mol
SMILES C1(\C(CCC(\C1=C/c1ccc(cc1)C)c1ccccc1)=C\c1ccc(cc1)C)=O
SPLASH splash10-03fr-0009000000-90f52f475c84a45b7969
Source of Spectrum SO-0-388-3
Wiley ID 1543087