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1,5-Dimethyl-4,8-diphenyl-6-(phenylethynyl) bicyclo[3.3.0]oct-6-en-2-one
SpectraBase Compound ID EPdgqZf6M2t
InChI InChI=1S/C30H26O/c1-29-25(19-18-22-12-6-3-7-13-22)20-26(23-14-8-4-9-15-23)30(29,2)28(31)21-27(29)24-16-10-5-11-17-24/h3-17,20,26-27H,21H2,1-2H3
InChIKey IYKUMTHZFJXCSF-UHFFFAOYSA-N
Mol Weight 402.54 g/mol
Molecular Formula C30H26O
Exact Mass 402.198365 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3byjnk2CtcS
Name 1,5-Dimethyl-4,8-diphenyl-6-(phenylethynyl) bicyclo[3.3.0]oct-6-en-2-one
CAS Registry Number 142484-56-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H26O
InChI InChI=1S/C30H26O/c1-29-25(19-18-22-12-6-3-7-13-22)20-26(23-14-8-4-9-15-23)30(29,2)28(31)21-27(29)24-16-10-5-11-17-24/h3-17,20,26-27H,21H2,1-2H3
InChIKey IYKUMTHZFJXCSF-UHFFFAOYSA-N
Molecular Weight 402.537 g/mol
SMILES C12(C(C(c3ccccc3)C=C1C#Cc1ccccc1)(C(=O)CC2c1ccccc1)C)C
SPLASH splash10-0udr-0920000000-791980f91e6fe3774e04
Source of Spectrum K-125-2608-22
Synonyms 3a,6a-dimethyl-3,6-diphenyl-4-(phenylethynyl)-3,3a,6,6a-tetrahydro-1(2H)-pentalenone
Wiley ID 1370751