| SpectraBase Spectrum ID |
5S4aZpclxn8 |
| Name |
3,4-Dihydro-4-oxo-3-(alpha,alpha,alpha-trifluoro-m-tolyl)-1-phthalazinecarboxylic acid, phenyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
410.087826773 u |
| Formula |
C22H13F3N2O3 |
| InChI |
InChI=1S/C22H13F3N2O3/c23-22(24,25)14-7-6-8-15(13-14)27-20(28)18-12-5-4-11-17(18)19(26-27)21(29)30-16-9-2-1-3-10-16/h1-13H |
| InChIKey |
XUMTZBWAPPFJNQ-UHFFFAOYSA-N |
| Molecular Weight |
410.352 g/mol |
| SMILES |
C=1(C=2C=CC=CC2C(=O)N(N1)C=1C=C(C=CC1)C(F)(F)F)C(=O)OC=1C=CC=CC1 |
