| SpectraBase Spectrum ID |
997OQBDTS9N |
| Name |
(R)-2-((4-Ethoxyphenyl)amino)-3,3-difluoro-2-phenylpropanenitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
302.123069468 u |
| Formula |
C17H16F2N2O |
| InChI |
InChI=1S/C17H16F2N2O/c1-2-22-15-10-8-14(9-11-15)21-17(12-20,16(18)19)13-6-4-3-5-7-13/h3-11,16,21H,2H2,1H3/t17-/m0/s1 |
| InChIKey |
GQLDWLXGTMZBOM-KRWDZBQOSA-N |
| Molecular Weight |
302.325 g/mol |
| SMILES |
C=1C=C(C=CC1)[C@](C(F)F)(C#N)NC1=CC=C(C=C1)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.849971 |
