| SpectraBase Spectrum ID |
4FkDFw4BzlN |
| Name |
4-isopropylidene-5-methyl-2-(4-nitrophenyl)-2-pyrazolin-3-one |
| Alternate Name(s) |
4-isopropylidene-5-methyl-2-(4-nitrophenyl)pyrazol-3-one
5-methyl-2-(4-nitrophenyl)-4-propan-2-ylidene-3-pyrazolone
5-methyl-2-(4-nitrophenyl)-4-propan-2-ylidene-pyrazol-3-one |
| CAS Registry Number |
76973-30-3 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H13N3O3 |
| InChI |
InChI=1S/C13H13N3O3/c1-8(2)12-9(3)14-15(13(12)17)10-4-6-11(7-5-10)16(18)19/h4-7H,1-3H3 |
| InChIKey |
AVBDDNPXAOQRGT-UHFFFAOYSA-N |
| Molecular Weight |
259.265 g/mol |
| SMILES |
C1(N(N=C(C1=C(C)C)C)c1ccc(N(=O)=O)cc1)=O |
| SPLASH |
splash10-052f-0090000000-75b6aeca985c06025afc |
| Source of Spectrum |
Y-23-1161-2 |
| Wiley ID |
1262629 |
