| SpectraBase Spectrum ID |
hpY9v5TQ1C |
| Name |
1,3-Dimethyl 2-[2-nitro-4-(trifluoromethyl)phenyl]propanedioate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
321.046021529 u |
| Formula |
C12H10F3NO6 |
| InChI |
InChI=1S/C12H10F3NO6/c1-21-10(17)9(11(18)22-2)7-4-3-6(12(13,14)15)5-8(7)16(19)20/h3-5,9H,1-2H3 |
| InChIKey |
MBAQGFLNQDHQCE-UHFFFAOYSA-N |
| Molecular Weight |
321.208 g/mol |
| SMILES |
C(F)(F)(F)C1=CC(=C(C=C1)C(C(=O)OC)C(=O)OC)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.951575 |
![1,3-Dimethyl 2-[2-nitro-4-(trifluoromethyl)phenyl]propanedioate](/api/spectrum/hpY9v5TQ1C/structure.png?h=300&w=458 "1,3-Dimethyl 2-[2-nitro-4-(trifluoromethyl)phenyl]propanedioate")
