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(1R*,3aS*,3bR*)-1,2,3b,4-Tetrahydro-1-isopropyl-3a-methyl-7-phenyl-4,10-etheno-6H,10H-cyclopenta[1,3]cyclopropa[1,2-d][1,2,4]triazolo[1,2-a]pyridazine-3,6,8(3aH,7H)-trione

View entire compound with spectra: 1 MS (GC)

(1R*,3aS*,3bR*)-1,2,3b,4-Tetrahydro-1-isopropyl-3a-methyl-7-phenyl-4,10-etheno-6H,10H-cyclopenta[1,3]cyclopropa[1,2-d][1,2,4]triazolo[1,2-a]pyridazine-3,6,8(3aH,7H)-trione
SpectraBase Compound ID P3bff4xcBL
InChI InChI=1S/C22H23N3O3/c1-12(2)14-11-17(26)21(3)18-15-9-10-16(22(14,18)21)25-20(28)23(19(27)24(15)25)13-7-5-4-6-8-13/h4-10,12,14-16,18H,11H2,1-3H3/t14-,15?,16?,18?,21?,22?/m0/s1
InChIKey GRQLPQBVTLKYMJ-HRXQELNFSA-N
Mol Weight 377.44 g/mol
Molecular Formula C22H23N3O3
Exact Mass 377.173942 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 13QnqNVH6G
Name (1R*,3aS*,3bR*)-1,2,3b,4-Tetrahydro-1-isopropyl-3a-methyl-7-phenyl-4,10-etheno-6H,10H-cyclopenta[1,3]cyclopropa[1,2-d][1,2,4]triazolo[1,2-a]pyridazine-3,6,8(3aH,7H)-trione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H23N3O3
InChI InChI=1S/C22H23N3O3/c1-12(2)14-11-17(26)21(3)18-15-9-10-16(22(14,18)21)25-20(28)23(19(27)24(15)25)13-7-5-4-6-8-13/h4-10,12,14-16,18H,11H2,1-3H3/t14-,15?,16?,18?,21?,22?/m0/s1
InChIKey GRQLPQBVTLKYMJ-HRXQELNFSA-N
Molecular Weight 377.444 g/mol
SMILES C123C(C(=O)C[C@]3(C(C)C)[H])(C)C1C1N3N(C2C=C1)C(N(c1ccccc1)C3=O)=O
SPLASH splash10-0f8l-4940000000-f4ca9c6af858715594df
Source of Spectrum KC-0-4088-4
Synonyms (3S)-3-isopropyl-6-methyl-11-phenyl-9,11,13-triazapentacyclo[6.5.2.0(2,6).0(2,7).0(9,13)]pentadec-14-ene-5,10,12-trione
Wiley ID 827025