| SpectraBase Spectrum ID |
9EztB0INEhd |
| Name |
(R)-2-(4-Chlorophenyl)-3,3-difluoro-2-((4-methoxyphenyl)amino)propanenitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
322.068447072 u |
| Formula |
C16H13ClF2N2O |
| InChI |
InChI=1S/C16H13ClF2N2O/c1-22-14-8-6-13(7-9-14)21-16(10-20,15(18)19)11-2-4-12(17)5-3-11/h2-9,15,21H,1H3/t16-/m0/s1 |
| InChIKey |
NRXXGVIWYZECMJ-INIZCTEOSA-N |
| Molecular Weight |
322.743 g/mol |
| SMILES |
C=1C=C(C=CC1Cl)[C@](C(F)F)(C#N)NC1=CC=C(C=C1)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.877819 |
