| SpectraBase Spectrum ID |
AVrrLQaylwN |
| Name |
Methyl 4-aminobenzoate, N-methyl-N-trifluoroacetyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
261.061277672 u |
| Formula |
C11H10F3NO3 |
| InChI |
InChI=1S/C11H10F3NO3/c1-15(10(17)11(12,13)14)8-5-3-7(4-6-8)9(16)18-2/h3-6H,1-2H3 |
| InChIKey |
DTYMGHUAVHCMJS-UHFFFAOYSA-N |
| Molecular Weight |
261.200 g/mol |
| SMILES |
C1=CC(=CC=C1C(OC)=O)N(C(C(F)(F)F)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.86106 |
