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3(2H)-Pyridazinone, 4,5-dihydro-5-[hydroxy(3-nitrophenyl)methyl]-6-methyl-
SpectraBase Compound ID 5gBv7Yi1lKW
InChI InChI=1S/C12H13N3O4/c1-7-10(6-11(16)14-13-7)12(17)8-3-2-4-9(5-8)15(18)19/h2-5,10,12,17H,6H2,1H3,(H,14,16)
InChIKey FKNSYLRATBUHPD-UHFFFAOYSA-N
Mol Weight 263.25 g/mol
Molecular Formula C12H13N3O4
Exact Mass 263.090606 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I7uhCFTIxuQ
Name 3(2H)-Pyridazinone, 4,5-dihydro-5-[hydroxy(3-nitrophenyl)methyl]-6-methyl-
Alternate Name(s) 5-[hydroxy(3-nitrophenyl)methyl]-6-methyl-4,5-dihydro-3(2H)-pyridazinone 6-Methyl-5-(3'-nitro-1'-phenylhydroxymethyl)4,5-dihydro-(2H)-3-pyridazinone
CAS Registry Number 87963-28-8
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13N3O4
InChI InChI=1S/C12H13N3O4/c1-7-10(6-11(16)14-13-7)12(17)8-3-2-4-9(5-8)15(18)19/h2-5,10,12,17H,6H2,1H3,(H,14,16)
InChIKey FKNSYLRATBUHPD-UHFFFAOYSA-N
Molecular Weight 263.253 g/mol
SMILES N1N=C(C(C(c2cc(N(=O)=O)ccc2)O)CC1=O)C
SPLASH splash10-03di-0900000000-b52e1e51e6bda2372be5
Source of Spectrum O-18-226-1
Wiley ID 1266723