| SpectraBase Spectrum ID |
GEvXFNyoBlO |
| Name |
(R)-3,3-Difluoro-2-((4-methoxyphenyl)amino)-2-(p-tolyl)propanenitrile |
| 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/c1-12-3-5-13(6-4-12)17(11-20,16(18)19)21-14-7-9-15(22-2)10-8-14/h3-10,16,21H,1-2H3/t17-/m0/s1 |
| InChIKey |
JVTBXIAMQYCDPT-KRWDZBQOSA-N |
| Molecular Weight |
302.325 g/mol |
| SMILES |
C=1C=C(C=CC1C)[C@](C(F)F)(C#N)NC1=CC=C(C=C1)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.806118 |
