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1,5-Dimethyl-2,6-bis(phenylethynyl) bicyclo[3.3.0]octa-2,6-diene
SpectraBase Compound ID 7VycAoQBafg
InChI InChI=1S/C26H22/c1-25-19-17-24(16-14-22-11-7-4-8-12-22)26(25,2)20-18-23(25)15-13-21-9-5-3-6-10-21/h3-12,17-18H,19-20H2,1-2H3
InChIKey OIOYXBLZSFYFEX-UHFFFAOYSA-N
Mol Weight 334.46 g/mol
Molecular Formula C26H22
Exact Mass 334.172151 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1Kag7OOqbZN
Name 1,5-Dimethyl-2,6-bis(phenylethynyl) bicyclo[3.3.0]octa-2,6-diene
Alternate Name(s) 3a,6a-dimethyl-3,6-bis(phenylethynyl)-1,3a,4,6a-tetrahydropentalene
CAS Registry Number 142484-53-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H22
InChI InChI=1S/C26H22/c1-25-19-17-24(16-14-22-11-7-4-8-12-22)26(25,2)20-18-23(25)15-13-21-9-5-3-6-10-21/h3-12,17-18H,19-20H2,1-2H3
InChIKey OIOYXBLZSFYFEX-UHFFFAOYSA-N
Molecular Weight 334.462 g/mol
SMILES C12(C(C(C#Cc3ccccc3)=CC1)(CC=C2C#Cc1ccccc1)C)C
SPLASH splash10-02al-0619000000-d45e8d01c44c765e8be1
Source of Spectrum K-125-2607-18
Wiley ID 1331465