| SpectraBase Spectrum ID |
6YEMMxA8Sni |
| Name |
Carbamic acid, N-(.alpha.-pentafluorophenyl)benzyl-, ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
345.078819443 u |
| Formula |
C16H12F5NO2 |
| InChI |
InChI=1S/C16H12F5NO2/c1-2-24-16(23)22-15(8-6-4-3-5-7-8)9-10(17)12(19)14(21)13(20)11(9)18/h3-7,15H,2H2,1H3,(H,22,23) |
| InChIKey |
FSVYWXYZHABTIF-UHFFFAOYSA-N |
| Molecular Weight |
345.269 g/mol |
| SMILES |
C1(F)=C(F)C(F)=C(C(=C1F)F)C(NC(=O)OCC)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.829248 |
