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2,2'-Diphenyl[2.2](4,7)-1,3-indanedionophane

View entire compound with spectra: 1 MS (GC)

2,2'-Diphenyl[2.2](4,7)-1,3-indanedionophane
SpectraBase Compound ID JB7y7V2M6CF
InChI InChI=1S/C34H24O4/c35-31-25-21-11-12-22(26(25)32(36)29(31)19-7-3-1-4-8-19)16-18-24-14-13-23(17-15-21)27-28(24)34(38)30(33(27)37)20-9-5-2-6-10-20/h1-14,29-30H,15-18H2
InChIKey SPTYUGFRLZALEP-UHFFFAOYSA-N
Mol Weight 496.6 g/mol
Molecular Formula C34H24O4
Exact Mass 496.167459 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1EFU8RxbpUm
Name 2,2'-Diphenyl[2.2](4,7)-1,3-indanedionophane
Alternate Name(s) 7,16-diphenylpentacyclo[11.5.2.2(4,10).0(5,9).0(14,18)]docosa-1(18),4,9,13,19,21-hexaene-6,8,15,17-tetrone
CAS Registry Number 88277-90-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H24O4
InChI InChI=1S/C34H24O4/c35-31-25-21-11-12-22(26(25)32(36)29(31)19-7-3-1-4-8-19)16-18-24-14-13-23(17-15-21)27-28(24)34(38)30(33(27)37)20-9-5-2-6-10-20/h1-14,29-30H,15-18H2
InChIKey SPTYUGFRLZALEP-UHFFFAOYSA-N
Molecular Weight 496.562 g/mol
SMILES C1(c2c(c3CCc4c5C(=O)C(C(c5c(CCc2cc3)cc4)=O)c2ccccc2)C(C1c1ccccc1)=O)=O
SPLASH splash10-0005-1690500000-a1e44ee4106fc066f05a
Source of Spectrum W5-1989-37926-27610
Wiley ID 1398356