SpectraBase Compound ID | 1UXDGQzxvVP |
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InChI | InChI=1S/C21H16/c1-3-7-18(8-4-1)11-13-20-15-21(16-20,17-20)14-12-19-9-5-2-6-10-19/h1-10H,15-17H2 |
InChIKey | MEXDOWHXTFCSCC-UHFFFAOYSA-N |
Mol Weight | 268.36 g/mol |
Molecular Formula | C21H16 |
Exact Mass | 268.125201 g/mol |
SpectraBase Spectrum ID | DooDhpDQat1 |
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Name | 1,3-Bis(phenylethynyl)bicyclo[1.1.1]pentane |
Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C21H16 |
InChI | InChI=1S/C21H16/c1-3-7-18(8-4-1)11-13-20-15-21(16-20,17-20)14-12-19-9-5-2-6-10-19/h1-10H,15-17H2 |
InChIKey | MEXDOWHXTFCSCC-UHFFFAOYSA-N |
Molecular Weight | 268.359 g/mol |
SMILES | C12(CC(C2)(C1)C#Cc1ccccc1)C#Cc1ccccc1 |
SPLASH | splash10-0gb9-1390000000-9568b2c9ba5c5f808b29 |
Source of Spectrum | U1-2012-4792-18 |
Wiley ID | 1715750 |