| SpectraBase Spectrum ID |
8H3gI6H06L2 |
| Name |
2,4-Dihydro-5-methyl-2-phenyl-3H-pyrazol-3-one |
| CAS Registry Number |
89-25-8 |
| Classification |
Pharmaceutical drug intermediate |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
174.079312949 u |
| Formula |
C10H10N2O |
| InChI |
InChI=1S/C10H10N2O/c1-8-7-10(13)12(11-8)9-5-3-2-4-6-9/h2-6H,7H2,1H3 |
| InChIKey |
QELUYTUMUWHWMC-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
174.203 g/mol |
| Nominal Mass |
174 u |
| Quality |
839 |
| Retention Index |
1480 |
| SMILES |
C1(N2C(CC(=N2)C)=O)=CC=CC=C1 |
| SPLASH |
splash10-00bc-9500000000-b3ea139e6db1ce7ecb0b |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
5-Methyl-2-phenyl-4H-pyrazol-3-one |
| Technique |
GC/MS |
| Wiley ID |
DD2024_008755 |
