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7,8-DI-(4-METHYLPHENYL)-1,3-DIAZETO-[1',2'-A]-PYRAZOLO-[3,4-D]-[1,3]-DIAZEPINE
SpectraBase Compound ID LXpyTSghqEW
InChI InChI=1S/C31H28N6O2/c1-5-39-29(38)27-19-26-22(4)34-37(25-9-7-6-8-10-25)28(26)33-31-35(24-17-13-21(3)14-18-24)30(36(27)31)32-23-15-11-20(2)12-16-23/h6-19H,5H2,1-4H3/b32-30+
InChIKey IMMHFNVKSOZQNY-NHQGMKOOSA-N
Mol Weight 516.61 g/mol
Molecular Formula C31H28N6O2
Exact Mass 516.227374 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GzQGQzG52AK
Name 1-Phenyl-3-methyl-5-(ethoxycarbonyl)-7-[(4-methylphenyl)imino]-8-(4-methylphenyl)-1,3-diazeto[1',2'-a]pyrazolo[3,4-d][1,3]diazepine
Alternate Name(s) Ethyl (7E)-3-methyl-8-(4-methylphenyl)-7-[(4-methylphenyl)imino]-1-phenyl-7,8-dihydro-1H-[1,3]diazeto[1,2-a]pyrazolo[3,4-d][1,3]diazepine-5-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H28N6O2
InChI InChI=1S/C31H28N6O2/c1-5-39-29(38)27-19-26-22(4)34-37(25-9-7-6-8-10-25)28(26)33-31-35(24-17-13-21(3)14-18-24)30(36(27)31)32-23-15-11-20(2)12-16-23/h6-19H,5H2,1-4H3/b32-30+
InChIKey IMMHFNVKSOZQNY-NHQGMKOOSA-N
Molecular Weight 516.605 g/mol
SMILES C1=2N(C(=Cc3c(n[n](c3N2)-c2ccccc2)C)C(=O)OCC)\C(N1c1ccc(cc1)C)=N\c1ccc(cc1)C
SPLASH splash10-00di-0090210000-4b0266f0356f936d3ed9
Source of Spectrum J-58-5269-4
Wiley ID 1401454