| SpectraBase Spectrum ID |
En43zohkEQ7 |
| Name |
2,5-di(Trifluoromethyl)benzoic acid, 4-cyanophenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
359.038097445 u |
| Formula |
C16H7F6NO2 |
| InChI |
InChI=1S/C16H7F6NO2/c17-15(18,19)10-3-6-13(16(20,21)22)12(7-10)14(24)25-11-4-1-9(8-23)2-5-11/h1-7H |
| InChIKey |
WJHYCQRXQOKJCW-UHFFFAOYSA-N |
| Molecular Weight |
359.227 g/mol |
| SMILES |
C1=C(C(=CC=C1C(F)(F)F)C(F)(F)F)C(=O)OC1=CC=C(C#N)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.938446 |
