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3(2H)-Pyridazinone, 5-(1,3-benzodioxol-5-ylhydroxymethyl)-4,5-dihydro-6-methyl-
SpectraBase Compound ID AHXHDFCiewW
InChI InChI=1S/C13H14N2O4/c1-7-9(5-12(16)15-14-7)13(17)8-2-3-10-11(4-8)19-6-18-10/h2-4,9,13,17H,5-6H2,1H3,(H,15,16)
InChIKey PMABXNJENHPXJB-UHFFFAOYSA-N
Mol Weight 262.26 g/mol
Molecular Formula C13H14N2O4
Exact Mass 262.095357 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3G5kjT9zfKD
Name 3(2H)-Pyridazinone, 5-(1,3-benzodioxol-5-ylhydroxymethyl)-4,5-dihydro-6-methyl-
Alternate Name(s) 5-[1,3-benzodioxol-5-yl(hydroxy)methyl]-6-methyl-4,5-dihydro-3(2H)-pyridazinone 6-Methyl-5-(3',4'-methylenedioxy-1'-phenylhydroxymethyl)4,5-dihydro-(2H)-3-pyridazinone
CAS Registry Number 87963-24-4
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14N2O4
InChI InChI=1S/C13H14N2O4/c1-7-9(5-12(16)15-14-7)13(17)8-2-3-10-11(4-8)19-6-18-10/h2-4,9,13,17H,5-6H2,1H3,(H,15,16)
InChIKey PMABXNJENHPXJB-UHFFFAOYSA-N
Molecular Weight 262.265 g/mol
SMILES N1C(CC(C(c2cc3OCOc3cc2)O)C(=N1)C)=O
SPLASH splash10-0ik9-0900000000-e16842f68b76b371d6e8
Source of Spectrum O-18-226-1
Wiley ID 1265579