| SpectraBase Spectrum ID |
95QPC28y1iT |
| Name |
Methyl 4-(3,5-bis(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-yl)benzoate |
| Appearance |
Oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H10F6N2O2 |
| InChI |
InChI=1S/C13H10F6N2O2/c1-23-10(22)7-2-4-8(5-3-7)11(13(17,18)19)6-9(20-21-11)12(14,15)16/h2-5,21H,6H2,1H3 |
| InChIKey |
ZHSRGQGOCQLNIX-UHFFFAOYSA-N |
| Instrument Name |
Micromass GCT CA 005 and Micromass LCTTM |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/cjoc.202000480 |
| Molecular Weight |
340.225 g/mol |
| Reported Formula |
C13H10F6N2O2 |
| SMILES |
N1N=C(CC1(c1ccc(cc1)C(=O)OC)C(F)(F)F)C(F)(F)F |
| SPLASH |
splash10-0kka-1492000000-5771c86fc90c120ee456 |
| Source of Spectrum |
CJC-39-SM44-3r |
| Wiley ID |
1856548 |
