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1-Phenyl-3-methyl-5-(ethoxycarbonyl)-7-[(4-fluorophenyl)imino]-8-(4-fluorophenyl)-1,3-diazeto[1',2'-a]pyrazolo[3,4-d][1,3]diazepine

View entire compound with spectra: 1 MS (GC)

1-Phenyl-3-methyl-5-(ethoxycarbonyl)-7-[(4-fluorophenyl)imino]-8-(4-fluorophenyl)-1,3-diazeto[1',2'-a]pyrazolo[3,4-d][1,3]diazepine
SpectraBase Compound ID Bvwgl7KIsf2
InChI InChI=1S/C29H22F2N6O2/c1-3-39-27(38)25-17-24-18(2)34-37(23-7-5-4-6-8-23)26(24)33-29-35(22-15-11-20(31)12-16-22)28(36(25)29)32-21-13-9-19(30)10-14-21/h4-17H,3H2,1-2H3/b32-28+
InChIKey UQOSSOMUANPFFM-VEWQFJOQSA-N
Mol Weight 524.53 g/mol
Molecular Formula C29H22F2N6O2
Exact Mass 524.17723 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 10ERhTVFrLa
Name 1-Phenyl-3-methyl-5-(ethoxycarbonyl)-7-[(4-fluorophenyl)imino]-8-(4-fluorophenyl)-1,3-diazeto[1',2'-a]pyrazolo[3,4-d][1,3]diazepine
Alternate Name(s) ethyl (7E)-8-(4-fluorophenyl)-7-[(4-fluorophenyl)imino]-3-methyl-1-phenyl-7,8-dihydro-1H-[1,3]diazeto[1,2-a]pyrazolo[3,4-d][1,3]diazepine-5-carboxylate
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H22F2N6O2
InChI InChI=1S/C29H22F2N6O2/c1-3-39-27(38)25-17-24-18(2)34-37(23-7-5-4-6-8-23)26(24)33-29-35(22-15-11-20(31)12-16-22)28(36(25)29)32-21-13-9-19(30)10-14-21/h4-17H,3H2,1-2H3/b32-28+
InChIKey UQOSSOMUANPFFM-VEWQFJOQSA-N
Molecular Weight 524.532 g/mol
SMILES C1=2N(C(=Cc3c(n[n](c3N2)-c2ccccc2)C)C(=O)OCC)\C(N1c1ccc(cc1)F)=N\c1ccc(cc1)F
SPLASH splash10-0udi-0000940000-aa4b3157b5d98c280a04
Source of Spectrum J-58-5269-4
Wiley ID 1402571