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2,6-bis(Phenylethynyl)tricyclo[3.3.1.0(2,8)]nona-3,6-diene
SpectraBase Compound ID KH46hyQY0uG
InChI InChI=1S/C25H18/c1-3-7-19(8-4-1)11-12-21-17-23-24-18-22(21)14-16-25(23,24)15-13-20-9-5-2-6-10-20/h1-10,14,16-17,22-24H,18H2/t22-,23?,24?,25-/m1/s1
InChIKey XRSDBZFEOXBAFQ-WXPCENJTSA-N
Mol Weight 318.42 g/mol
Molecular Formula C25H18
Exact Mass 318.140851 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1d7Uuri8P0B
Name 2,6-bis(Phenylethynyl)tricyclo[3.3.1.0(2,8)]nona-3,6-diene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H18
InChI InChI=1S/C25H18/c1-3-7-19(8-4-1)11-12-21-17-23-24-18-22(21)14-16-25(23,24)15-13-20-9-5-2-6-10-20/h1-10,14,16-17,22-24H,18H2/t22-,23?,24?,25-/m1/s1
InChIKey XRSDBZFEOXBAFQ-WXPCENJTSA-N
Molecular Weight 318.419 g/mol
SMILES C12[C@@]3(C=C[C@@](C(=CC23)C#Cc2ccccc2)(C1)[H])C#Cc1ccccc1
SPLASH splash10-0a4i-6901000000-6c1691e9ac11b74d7895
Source of Spectrum U-1996-994-1
Wiley ID 768548