| SpectraBase Spectrum ID |
HIshcwOZu8M |
| Name |
acetic acid (3-hydroxy-4,4,5-trimethyl-2-p-toluoyl-2-pyrazolin-3-yl)methyl ester |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H22N2O4 |
| InChI |
InChI=1S/C17H22N2O4/c1-11-6-8-14(9-7-11)15(21)19-17(22,10-23-13(3)20)16(4,5)12(2)18-19/h6-9,22H,10H2,1-5H3 |
| InChIKey |
XJJWEMPCAAVVLB-UHFFFAOYSA-N |
| Molecular Weight |
318.373 g/mol |
| SMILES |
OC1(N(N=C(C)C1(C)C)C(c1ccc(cc1)C)=O)COC(=O)C |
| SPLASH |
splash10-014i-0920000000-07c912a607061e56e3b0 |
| Source of Spectrum |
Y-28-51-8 |
| Synonyms |
[3-hydroxy-4,4,5-trimethyl-2-(4-methylbenzoyl)pyrazol-3-yl]methyl acetate
[4,4,5-trimethyl-2-(4-methylphenyl)carbonyl-3-oxidanyl-pyrazol-3-yl]methyl ethanoate |
| Wiley ID |
1318432 |
