| SpectraBase Spectrum ID |
Eh1tjrByarq |
| Name |
Methyl 2-amino-4-(difluoromethoxy)-5-methoxybenzoate, N-acetyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
289.076178844 u |
| Formula |
C12H13F2NO5 |
| InChI |
InChI=1S/C12H13F2NO5/c1-6(16)15-8-5-10(20-12(13)14)9(18-2)4-7(8)11(17)19-3/h4-5,12H,1-3H3,(H,15,16) |
| InChIKey |
CJTCUEDMNRUQLX-UHFFFAOYSA-N |
| Molecular Weight |
289.235 g/mol |
| SMILES |
C(F)(F)OC1=C(C=C(C(=C1)NC(C)=O)C(=O)OC)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.939783 |
