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5',5"-diphenyldibenzo[2.2]paracyclophane-1,9-diene-4',4"-dicarbaldehyde
SpectraBase Compound ID 3MB7xkOil2x
InChI InChI=1S/C38H24O2/c39-23-31-19-35-27-11-13-28(14-12-27)36-20-32(24-40)34(26-9-5-2-6-10-26)22-38(36)30-17-15-29(16-18-30)37(35)21-33(31)25-7-3-1-4-8-25/h1-24H/b35-27-,36-28-,37-29-,38-30-
InChIKey QNXDAKJTOFQOAH-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 FgGusv8AQKR
Name 5',5"-diphenyldibenzo[2.2]paracyclophane-1,9-diene-4',4"-dicarbaldehyde
CAS Registry Number 109764-91-2
Comments Less than 3 mono-isotopic peaks
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Formula C38H24O2
InChI InChI=1S/C38H24O2/c39-23-31-19-35-27-11-13-28(14-12-27)36-20-32(24-40)34(26-9-5-2-6-10-26)22-38(36)30-17-15-29(16-18-30)37(35)21-33(31)25-7-3-1-4-8-25/h1-24H/b35-27-,36-28-,37-29-,38-30-
InChIKey QNXDAKJTOFQOAH-MVYRUKRTSA-N
Molecular Weight 512.608 g/mol
SMILES c-12c(cc(C=O)c(c2)-c2ccccc2)-c2ccc(-c3cc(C=O)c(cc3-c3ccc1cc3)-c1ccccc1)cc2
SPLASH splash10-03di-0000090000-2761c7fa1b9db38f31af
Source of Spectrum K-120-1673-22
Synonyms 5,14-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-4,15-dicarbaldehyde
Wiley ID 1400931