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N-{5,6,7,8-Tetrahydro-2-oxo-8-[(1,2,4-triazolo[4,3-b]pyridazin-6-yl)hydrazono]-2H-1-benzopyran-3-yl}benzamide
SpectraBase Compound ID udaMvdTReD
InChI InChI=1S/C21H17N7O3/c29-20(13-5-2-1-3-6-13)23-16-11-14-7-4-8-15(19(14)31-21(16)30)24-25-17-9-10-18-26-22-12-28(18)27-17/h1-3,5-6,9-12H,4,7-8H2,(H,23,29)(H,25,27)/b24-15+
InChIKey YTUIZCIJCGLEKF-BUVRLJJBSA-N
Mol Weight 415.41 g/mol
Molecular Formula C21H17N7O3
Exact Mass 415.139287 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID a5b8d2fzFv
Name N-{5,6,7,8-Tetrahydro-2-oxo-8-[(1,2,4-triazolo[4,3-b]pyridazin-6-yl)hydrazono]-2H-1-benzopyran-3-yl}benzamide
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H17N7O3
InChI InChI=1S/C21H17N7O3/c29-20(13-5-2-1-3-6-13)23-16-11-14-7-4-8-15(19(14)31-21(16)30)24-25-17-9-10-18-26-22-12-28(18)27-17/h1-3,5-6,9-12H,4,7-8H2,(H,23,29)(H,25,27)/b24-15+
InChIKey YTUIZCIJCGLEKF-BUVRLJJBSA-N
Molecular Weight 415.413 g/mol
SMILES N(\N=C\1C2=C(C=C(C(O2)=O)NC(=O)c2ccccc2)CCC1)C1=N[n]2c(nnc2)C=C1
SPLASH splash10-0a4i-0900300000-7fbb47e68afbebfaf7bf
Source of Spectrum H1-53-1116-3
Synonyms N-[(8E)-2-oxo-8-([1,2,4]triazolo[4,3-b]pyridazin-6-ylhydrazono)-5,6,7,8-tetrahydro-2H-chromen-3-yl]benzamide
Wiley ID 817970