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1H,6H-3a,10a:5a,8a-Di[2]butenocyclobuta[1,2-f:3,4-f']diisoindole-1,3, 6,8(2H,7H)-tetrone, 2,7-bis(3,5-dimethylphenyl)-4,4a,4b,5,9,9a,9b,10-octahydro-
SpectraBase Compound ID 6wBpjWa3TZG
InChI InChI=1S/C40H42N2O4/c1-23-13-24(2)16-27(15-23)41-33(43)37-9-5-6-10-38(37,34(41)44)20-30-29(19-37)31-21-39-11-7-8-12-40(39,22-32(30)31)36(46)42(35(39)45)28-17-25(3)14-26(4)18-28/h5-8,13-18,29-32H,9-12,19-22H2,1-4H3/t29?,30?,31?,32?,37-,38-,39-,40+/m0/s1
InChIKey YKJINEFOLOUJOT-UHFFFAOYSA-N
Mol Weight 614.8 g/mol
Molecular Formula C40H42N2O4
Exact Mass 614.314458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8C1XMnIWyYU
Name 1H,6H-3a,10a:5a,8a-Di[2]butenocyclobuta[1,2-f:3,4-f']diisoindole-1,3, 6,8(2H,7H)-tetrone, 2,7-bis(3,5-dimethylphenyl)-4,4a,4b,5,9,9a,9b,10-octahydro-
CAS Registry Number 73236-03-0
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H42N2O4
InChI InChI=1S/C40H42N2O4/c1-23-13-24(2)16-27(15-23)41-33(43)37-9-5-6-10-38(37,34(41)44)20-30-29(19-37)31-21-39-11-7-8-12-40(39,22-32(30)31)36(46)42(35(39)45)28-17-25(3)14-26(4)18-28/h5-8,13-18,29-32H,9-12,19-22H2,1-4H3/t29?,30?,31?,32?,37-,38-,39-,40+/m0/s1
InChIKey YKJINEFOLOUJOT-UHFFFAOYSA-N
Molecular Weight 614.786 g/mol
SMILES C1(N(C([C@@]23CC4C5C[C@@]67C(N(C([C@@]6(CC5C4C[C@@]12CC=CC3)CC=CC7)=O)c1cc(C)cc(c1)C)=O)=O)c1cc(C)cc(c1)C)=O
SPLASH splash10-0a4i-0219000000-0c40173d0a14b1c29f76
Source of Spectrum F-35-1319-0
Synonyms 22,25-bis(3,5-dimethylphenyl)-22,25-diazaheptacyclo[14.4.3.3(6,11).0(1,16).0(3,14).0(4,13).0(6,11)]hexacosa-8,18-diene-21,23,24,26-tetrone Dimer of irrad. dienic 2,6-dimethylphenylimide
Wiley ID 1411232