| SpectraBase Spectrum ID |
3G5kjT9zfKD |
| Name |
3(2H)-Pyridazinone, 5-(1,3-benzodioxol-5-ylhydroxymethyl)-4,5-dihydro-6-methyl- |
| 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 |
| Synonyms |
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 |
| Wiley ID |
1265579 |
