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2,3-bis(1'-Pentynyl)-corrannulene
SpectraBase Compound ID 31neCINqBZb
InChI InChI=1S/C30H22/c1-3-5-7-9-21-17-23-15-13-19-11-12-20-14-16-24-18-22(10-8-6-4-2)25(21)30-28(23)26(19)27(20)29(24)30/h11-18H,3-6H2,1-2H3
InChIKey OROADLKLNIUONW-UHFFFAOYSA-N
Mol Weight 382.51 g/mol
Molecular Formula C30H22
Exact Mass 382.172151 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jwoqqwt5lWK
Name 2,3-bis(1'-Pentynyl)-corrannulene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H22
InChI InChI=1S/C30H22/c1-3-5-7-9-21-17-23-15-13-19-11-12-20-14-16-24-18-22(10-8-6-4-2)25(21)30-28(23)26(19)27(20)29(24)30/h11-18H,3-6H2,1-2H3
InChIKey OROADLKLNIUONW-UHFFFAOYSA-N
Molecular Weight 382.506 g/mol
SMILES c12c3c4c5cc(c3c(C#CCCC)cc1ccc1c2c4c(cc5)cc1)C#CCCC
SPLASH splash10-0f89-0009000000-887553303e98546b1fad
Source of Spectrum C-128-6882-27b
Wiley ID 1701716