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1H-[1,2,4]Triazolo[1,2-a]pyridazine-1,3(2H)-dione, 5,8-dihydro-5-(2-methylpropyl)-2,8-diphenyl-, cis-(.+-.)-
SpectraBase Compound ID Kvd32WxdCNU
InChI InChI=1S/C22H23N3O2/c1-16(2)15-19-13-14-20(17-9-5-3-6-10-17)25-22(27)23(21(26)24(19)25)18-11-7-4-8-12-18/h3-14,16,19-20H,15H2,1-2H3/t19-,20+/m0/s1
InChIKey CGCFHPITJMDFEN-VQTJNVASSA-N
Mol Weight 361.45 g/mol
Molecular Formula C22H23N3O2
Exact Mass 361.179027 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ApwxofutSlr
Name 1H-[1,2,4]Triazolo[1,2-a]pyridazine-1,3(2H)-dione, 5,8-dihydro-5-(2-methylpropyl)-2,8-diphenyl-, cis-(.+-.)-
CAS Registry Number 81757-58-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H23N3O2
InChI InChI=1S/C22H23N3O2/c1-16(2)15-19-13-14-20(17-9-5-3-6-10-17)25-22(27)23(21(26)24(19)25)18-11-7-4-8-12-18/h3-14,16,19-20H,15H2,1-2H3/t19-,20+/m0/s1
InChIKey CGCFHPITJMDFEN-VQTJNVASSA-N
Molecular Weight 361.445 g/mol
SMILES C1(N(C(N2[C@](C=C[C@](N12)(CC(C)C)[H])(c1ccccc1)[H])=O)c1ccccc1)=O
SPLASH splash10-100c-1907000000-a3327bc6527ff1b18031
Source of Spectrum B-35-578-0
Synonyms (5R,8R)-5-isobutyl-2,8-diphenyl-5,8-dihydro-1H-[1,2,4]triazolo[1,2-a]pyridazine-1,3(2H)-dione 5-Isobutyl-8-phenyl-5,8-dihydro-1H-[1,2,4]triazolo[1,2a]pyridazine-1,3(2H)-dione
Wiley ID 1349084