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1-Phenyl-5[(E)-phenylmethylene]-2-(2,4,6-trimethylphenyl)spiro[2,4]heptan-4-one
SpectraBase Compound ID IdK4JSpV0KZ
InChI InChI=1S/C29H28O/c1-19-16-20(2)25(21(3)17-19)27-26(23-12-8-5-9-13-23)29(27)15-14-24(28(29)30)18-22-10-6-4-7-11-22/h4-13,16-18,26-27H,14-15H2,1-3H3/b24-18+
InChIKey LQKLFSIVGPUQMZ-HKOYGPOVSA-N
Mol Weight 392.54 g/mol
Molecular Formula C29H28O
Exact Mass 392.214016 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DkngfzM89nL
Name 1-Phenyl-5[(E)-phenylmethylene]-2-(2,4,6-trimethylphenyl)spiro[2,4]heptan-4-one
CAS Registry Number 115591-94-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H28O
InChI InChI=1S/C29H28O/c1-19-16-20(2)25(21(3)17-19)27-26(23-12-8-5-9-13-23)29(27)15-14-24(28(29)30)18-22-10-6-4-7-11-22/h4-13,16-18,26-27H,14-15H2,1-3H3/b24-18+
InChIKey LQKLFSIVGPUQMZ-HKOYGPOVSA-N
Molecular Weight 392.542 g/mol
SMILES C12(C(c3c(cc(cc3C)C)C)C1c1ccccc1)C(\C(=C\c1ccccc1)CC2)=O
SPLASH splash10-0006-4529000000-fc4414e2e904d4651848
Source of Spectrum K-121-2131-4
Synonyms (5E)-5-benzylidene-1-mesityl-2-phenylspiro[2.4]heptan-4-one
Wiley ID 1366118