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2,3-Bis(phenylethynyl)bicyclo[2.2.1]hepta-2,5-diene
SpectraBase Compound ID 3tcNnTX5txA
InChI InChI=1S/C23H16/c1-3-7-18(8-4-1)11-15-22-20-13-14-21(17-20)23(22)16-12-19-9-5-2-6-10-19/h1-10,13-14,20-21H,17H2/t20-,21+
InChIKey WALOIPMLXNXWRQ-OYRHEFFESA-N
Mol Weight 292.38 g/mol
Molecular Formula C23H16
Exact Mass 292.125201 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AKVeUcQhsI9
Name 2,3-Bis(phenylethynyl)bicyclo[2.2.1]hepta-2,5-diene
Comments Less than 3 mono-isotopic peaks
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Formula C23H16
InChI InChI=1S/C23H16/c1-3-7-18(8-4-1)11-15-22-20-13-14-21(17-20)23(22)16-12-19-9-5-2-6-10-19/h1-10,13-14,20-21H,17H2/t20-,21+
InChIKey WALOIPMLXNXWRQ-OYRHEFFESA-N
Molecular Weight 292.381 g/mol
SMILES C1(=C(C#Cc2ccccc2)[C@@]2(C[C@]1(C=C2)[H])[H])C#Cc1ccccc1
SPLASH splash10-004l-0090000000-1b6399dd4e2c37e73109
Source of Spectrum J-61-6165-3
Wiley ID 1296076