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5,8-Etheno-1H-cyclobuta[d][1,2,4]triazolo[1,2-a]pyridazine-1,3(2H)-dione, 6-(acetyloxy)-5,5a,6,7,7a,8-hexahydro-2-phenyl-
SpectraBase Compound ID DheGA33iuin
InChI InChI=1S/C18H17N3O4/c1-10(22)25-15-9-12-13-7-8-14(16(12)15)21-18(24)19(17(23)20(13)21)11-5-3-2-4-6-11/h2-8,12-16H,9H2,1H3
InChIKey BAKFLEDHQYPETR-UHFFFAOYSA-N
Mol Weight 339.35 g/mol
Molecular Formula C18H17N3O4
Exact Mass 339.121906 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LX9zco21XgE
Name 5,8-Etheno-1H-cyclobuta[d][1,2,4]triazolo[1,2-a]pyridazine-1,3(2H)-dione, 6-(acetyloxy)-5,5a,6,7,7a,8-hexahydro-2-phenyl-
CAS Registry Number 99141-01-2
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H17N3O4
InChI InChI=1S/C18H17N3O4/c1-10(22)25-15-9-12-13-7-8-14(16(12)15)21-18(24)19(17(23)20(13)21)11-5-3-2-4-6-11/h2-8,12-16H,9H2,1H3
InChIKey BAKFLEDHQYPETR-UHFFFAOYSA-N
Molecular Weight 339.351 g/mol
SMILES C1(N2N(C(N1c1ccccc1)=O)C1C=CC2C2C1CC2OC(=O)C)=O
SPLASH splash10-002f-9701000000-5c84a0c71b73668f9b24
Source of Spectrum K-118-3374-4
Synonyms 3,5-Dioxo-4-phenyl-2,4,6-triazatetracyclo[5.4.2.0(2,6).0(8,11)]tridec-12-en-9-yl acetate Anti-3-acetoxy-N-phenyl-7,8-diazatricyclo[4.2.2.0(2,5)]dec-9-ene-7,8-dicarboximide syn-3-acetoxy-N-phenyl-7,8-diazatricyclo[4.2.2.0(2,5)]dec-9-ene-7,8-dicarboximide
Wiley ID 1334444