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5,8-Ethenobenzo[3,4]cyclobuta[1,2-d]pyridazine-6,7-dicarboxylic acid, 4,4b,5,8,8a,8b-hexahydro-1,4-diphenyl-, dimethyl ester

View entire compound with spectra: 1 MS (GC)

5,8-Ethenobenzo[3,4]cyclobuta[1,2-d]pyridazine-6,7-dicarboxylic acid, 4,4b,5,8,8a,8b-hexahydro-1,4-diphenyl-, dimethyl ester
SpectraBase Compound ID LMlqqvxjG7T
InChI InChI=1S/C28H24N2O4/c1-33-27(31)21-17-13-14-18(22(21)28(32)34-2)20-19(17)23-24(20)26(16-11-7-4-8-12-16)30-29-25(23)15-9-5-3-6-10-15/h3-14,17-20,23-24H,1-2H3/t17-,18+,19?,20?,23?,24?
InChIKey AROFOESNFXHPHX-UHFFFAOYSA-N
Mol Weight 452.51 g/mol
Molecular Formula C28H24N2O4
Exact Mass 452.173607 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6FuseAltgj
Name 5,8-Ethenobenzo[3,4]cyclobuta[1,2-d]pyridazine-6,7-dicarboxylic acid, 4,4b,5,8,8a,8b-hexahydro-1,4-diphenyl-, dimethyl ester
CAS Registry Number 56083-43-3
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H24N2O4
InChI InChI=1S/C28H24N2O4/c1-33-27(31)21-17-13-14-18(22(21)28(32)34-2)20-19(17)23-24(20)26(16-11-7-4-8-12-16)30-29-25(23)15-9-5-3-6-10-15/h3-14,17-20,23-24H,1-2H3/t17-,18+,19?,20?,23?,24?
InChIKey AROFOESNFXHPHX-UHFFFAOYSA-N
Molecular Weight 452.510 g/mol
SMILES COC(C=1[C@@]2(C=C[C@@](C3C2C2C3C(c3ccccc3)=NN=C2c2ccccc2)(C1C(=O)OC)[H])[H])=O
SPLASH splash10-08i0-3910000000-67a69f6a28c9a1a6cfd5
Source of Spectrum B-26-405-17
Wiley ID 1388339