| SpectraBase Spectrum ID |
2TEUx6kPjDy |
| Name |
2-Methoxy-5-nitrophenol, trifluoroacetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
265.019806781 u |
| Formula |
C9H6F3NO5 |
| InChI |
InChI=1S/C9H6F3NO5/c1-17-6-3-2-5(13(15)16)4-7(6)18-8(14)9(10,11)12/h2-4H,1H3 |
| InChIKey |
QVXOPRLVAGXWQE-UHFFFAOYSA-N |
| Molecular Weight |
265.144 g/mol |
| SMILES |
C1(=CC(OC(C(F)(F)F)=O)=C(C=C1)OC)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.927251 |
