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5,8-Methano-1H-[1,2,4]triazolo[1,2-a]pyridazine-1,3(2H)-dione, 5,8-dihydro-9-(2-oxo-4-pentenyl)-2-phenyl-
SpectraBase Compound ID 4uEfAEzltol
InChI InChI=1S/C18H17N3O3/c1-2-6-13(22)11-14-15-9-10-16(14)21-18(24)19(17(23)20(15)21)12-7-4-3-5-8-12/h2-5,7-10,14-16H,1,6,11H2
InChIKey AWRVYEZXGNRYEM-UHFFFAOYSA-N
Mol Weight 323.35 g/mol
Molecular Formula C18H17N3O3
Exact Mass 323.126991 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EZ1BG9yzitG
Name 5,8-Methano-1H-[1,2,4]triazolo[1,2-a]pyridazine-1,3(2H)-dione, 5,8-dihydro-9-(2-oxo-4-pentenyl)-2-phenyl-
CAS Registry Number 87973-96-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H17N3O3
InChI InChI=1S/C18H17N3O3/c1-2-6-13(22)11-14-15-9-10-16(14)21-18(24)19(17(23)20(15)21)12-7-4-3-5-8-12/h2-5,7-10,14-16H,1,6,11H2
InChIKey AWRVYEZXGNRYEM-UHFFFAOYSA-N
Molecular Weight 323.352 g/mol
SMILES C1(N2N(C(N1c1ccccc1)=O)C1C(C2C=C1)CC(=O)CC=C)=O
SPLASH splash10-004i-8921000000-8d8544258c75650fdedf
Source of Spectrum H-66-1899-0
Synonyms 10-(2-oxo-4-pentenyl)-4-phenyl-2,4,6-triazatricyclo[5.2.1.0(2,6)]dec-8-ene-3,5-dione 10-(4-Penten-2-on-1-yl)-4-phenyl-2,4,6-triazatricyclo[5.2.1.0(2,6)]dec-8-en-3,5-dione
Wiley ID 1322435