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1,5-Dimethyl-4,8-diphenyl-2,6-bis(phenylethynyl) bicyclo[3.3.0]octa-2,6-diene
SpectraBase Compound ID LrqhLQtkcBN
InChI InChI=1S/C38H30/c1-37-33(25-23-29-15-7-3-8-16-29)27-36(32-21-13-6-14-22-32)38(37,2)34(26-24-30-17-9-4-10-18-30)28-35(37)31-19-11-5-12-20-31/h3-22,27-28,35-36H,1-2H3
InChIKey DHHIIHPAPOOLFS-UHFFFAOYSA-N
Mol Weight 486.7 g/mol
Molecular Formula C38H30
Exact Mass 486.234751 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID wHBcsNybLZ
Name 1,5-Dimethyl-4,8-diphenyl-2,6-bis(phenylethynyl) bicyclo[3.3.0]octa-2,6-diene
CAS Registry Number 142484-58-0
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C38H30
InChI InChI=1S/C38H30/c1-37-33(25-23-29-15-7-3-8-16-29)27-36(32-21-13-6-14-22-32)38(37,2)34(26-24-30-17-9-4-10-18-30)28-35(37)31-19-11-5-12-20-31/h3-22,27-28,35-36H,1-2H3
InChIKey DHHIIHPAPOOLFS-UHFFFAOYSA-N
Molecular Weight 486.658 g/mol
SMILES C12(C(C(C#Cc3ccccc3)=CC1c1ccccc1)(C(c1ccccc1)C=C2C#Cc1ccccc1)C)C
SPLASH splash10-007a-0019700000-8276560522f3908fd2ba
Source of Spectrum K-125-2608-24
Synonyms 3a,6a-dimethyl-1,4-diphenyl-3,6-bis(phenylethynyl)-1,3a,4,6a-tetrahydropentalene
Wiley ID 1396657