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4",5'-diphenyldibenzo[2.2]paracyclophane-1,9-diene-4',5"-dicarbaldehyde
SpectraBase Compound ID 7wtIhhKt2gh
InChI InChI=1S/C38H24O2/c39-23-31-19-35-27-13-17-30(18-14-27)38-22-34(26-9-5-2-6-10-26)32(24-40)20-36(38)28-11-15-29(16-12-28)37(35)21-33(31)25-7-3-1-4-8-25/h1-24H/b35-27-,36-28-,37-29-,38-30-
InChIKey XKKJYGPLIZVHDT-MVYRUKRTSA-N
Mol Weight 512.6 g/mol
Molecular Formula C38H24O2
Exact Mass 512.17763 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HCsjL94Wj9k
Name 4",5'-diphenyldibenzo[2.2]paracyclophane-1,9-diene-4',5"-dicarbaldehyde
Alternate Name(s) 5,15-diphenylpentacyclo[16.2.2.2(8,11).0(2,7).0(12,17)]tetracosa-1(20),2,4,6,8,10,12,14,16,18,21,23-dodecaene-4,14-dicarbaldehyde
CAS Registry Number 109764-90-1
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C38H24O2
InChI InChI=1S/C38H24O2/c39-23-31-19-35-27-13-17-30(18-14-27)38-22-34(26-9-5-2-6-10-26)32(24-40)20-36(38)28-11-15-29(16-12-28)37(35)21-33(31)25-7-3-1-4-8-25/h1-24H/b35-27-,36-28-,37-29-,38-30-
InChIKey XKKJYGPLIZVHDT-MVYRUKRTSA-N
Molecular Weight 512.608 g/mol
SMILES c-12c(cc(c(c2)-c2ccccc2)C=O)-c2ccc(-c3cc(-c4ccccc4)c(cc3-c3ccc1cc3)C=O)cc2
SPLASH splash10-03di-0000090000-8209b5f72d20249eb949
Source of Spectrum K-120-1673-21
Wiley ID 1400932