| SpectraBase Spectrum ID |
2CsbAovi4Ri |
| Name |
4'-Nitro-alpha,alpha,alpha-trifluorocyclopentanecarboxy-m-toluidide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
302.087826773 u |
| Formula |
C13H13F3N2O3 |
| InChI |
InChI=1S/C13H13F3N2O3/c14-13(15,16)10-7-9(5-6-11(10)18(20)21)17-12(19)8-3-1-2-4-8/h5-8H,1-4H2,(H,17,19) |
| InChIKey |
RSJYVQODGRZIIS-UHFFFAOYSA-N |
| Molecular Weight |
302.253 g/mol |
| SMILES |
N(C=1C=C(C(=CC1)N(=O)=O)C(F)(F)F)C(C1CCCC1)=O |
| Spectrum/Structure Validation Score (Raman) |
0.908263 |
