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1H-[1,2,4]Triazolo[1,2-a]pyridazine-1,3(2H)-dione, 5,8-dihydro-5-(1-methylethyl)-2,8-diphenyl-, cis-(.+-.)-
SpectraBase Compound ID AV42TCXcXB2
InChI InChI=1S/C21H21N3O2/c1-15(2)18-13-14-19(16-9-5-3-6-10-16)24-21(26)22(20(25)23(18)24)17-11-7-4-8-12-17/h3-15,18-19H,1-2H3/t18-,19+/m0/s1
InChIKey IUEOLPDPSBAMJR-RBUKOAKNSA-N
Mol Weight 347.42 g/mol
Molecular Formula C21H21N3O2
Exact Mass 347.163377 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B8z0aWceDNS
Name 1H-[1,2,4]Triazolo[1,2-a]pyridazine-1,3(2H)-dione, 5,8-dihydro-5-(1-methylethyl)-2,8-diphenyl-, cis-(.+-.)-
Alternate Name(s) (5R,8R)-5-isopropyl-2,8-diphenyl-5,8-dihydro-1H-[1,2,4]triazolo[1,2-a]pyridazine-1,3(2H)-dione 5-Isopropyl-8-phenyl-5,8-dihydro-1H-[1,2,4]triazolo[1,2-a]pyridazine-1,3(2H)-dione
CAS Registry Number 81757-59-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H21N3O2
InChI InChI=1S/C21H21N3O2/c1-15(2)18-13-14-19(16-9-5-3-6-10-16)24-21(26)22(20(25)23(18)24)17-11-7-4-8-12-17/h3-15,18-19H,1-2H3/t18-,19+/m0/s1
InChIKey IUEOLPDPSBAMJR-RBUKOAKNSA-N
Molecular Weight 347.418 g/mol
SMILES C1(N(C(N2[C@@](C=C[C@@](N12)(c1ccccc1)[H])(C(C)C)[H])=O)c1ccccc1)=O
SPLASH splash10-0zg0-0908000000-ec474f65e0f8d4c89a69
Source of Spectrum B-35-579-0
Wiley ID 1340094