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3(2H)-Pyridazinone, 5-(1,3-benzodioxol-5-ylhydroxymethyl)-4,5-dihydro-6-methyl-

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

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

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4yyCW8jHwHk
Name 3(2H)-Pyridazinone, 5-(1,3-benzodioxol-5-ylhydroxymethyl)-4,5-dihydro-6-methyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 262.095356935 u
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
SMILES C1(NN=C(C(C1)C(C=1C=C2OCOC2=CC1)O)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.858296