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1,2-bis(Methoxycarbonyl)-6,7-bis(1'-pentynyl)-corrannulene
SpectraBase Compound ID DPvoxAMD4Ol
InChI InChI=1S/C34H26O4/c1-5-7-9-11-19-17-21-13-15-23-28-26(21)32-25(19)20(12-10-8-6-2)18-22-14-16-24(29(28)27(22)32)31(34(36)38-4)30(23)33(35)37-3/h13-18H,5-8H2,1-4H3
InChIKey LVXNOYJLBJYJDT-UHFFFAOYSA-N
Mol Weight 498.6 g/mol
Molecular Formula C34H26O4
Exact Mass 498.183109 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G5Xhlj3Y98k
Name 1,2-bis(Methoxycarbonyl)-6,7-bis(1'-pentynyl)-corrannulene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H26O4
InChI InChI=1S/C34H26O4/c1-5-7-9-11-19-17-21-13-15-23-28-26(21)32-25(19)20(12-10-8-6-2)18-22-14-16-24(29(28)27(22)32)31(34(36)38-4)30(23)33(35)37-3/h13-18H,5-8H2,1-4H3
InChIKey LVXNOYJLBJYJDT-UHFFFAOYSA-N
Molecular Weight 498.578 g/mol
SMILES c12c3c4c5cc(c6c4c2c(cc6C#CCCC)ccc1c(C(=O)OC)c(c3cc5)C(=O)OC)C#CCCC
SPLASH splash10-06rb-0715900000-b74ebffa3eb54aaedc1f
Source of Spectrum C-128-6882-27d
Wiley ID 1701714