| SpectraBase Spectrum ID |
CKKdvLPFJm4 |
| Name |
{1-Amino-2-[(alpha,alpha,alpha-trifluoro-m-tolyl)oxy]ethylidene}malononitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
267.061946378 u |
| Formula |
C12H8F3N3O |
| InChI |
InChI=1S/C12H8F3N3O/c13-12(14,15)9-2-1-3-10(4-9)19-7-11(18)8(5-16)6-17/h1-4H,7,18H2 |
| InChIKey |
XJOVVNQAVNQVMG-UHFFFAOYSA-N |
| Molecular Weight |
267.211 g/mol |
| SMILES |
NC(COC1=CC(=CC=C1)C(F)(F)F)=C(C#N)C#N |
| Spectrum/Structure Validation Score (Raman) |
0.937323 |
![{1-Amino-2-[(alpha,alpha,alpha-trifluoro-m-tolyl)oxy]ethylidene}malononitrile](/api/spectrum/CKKdvLPFJm4/structure.png?h=300&w=458 "{1-Amino-2-[(alpha,alpha,alpha-trifluoro-m-tolyl)oxy]ethylidene}malononitrile")
