| SpectraBase Spectrum ID |
40rNocRcBYR |
| Name |
Methyl 3-amino-2-methylbenzoate, N-acetyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
207.089543280 u |
| Formula |
C11H13NO3 |
| InChI |
InChI=1S/C11H13NO3/c1-7-9(11(14)15-3)5-4-6-10(7)12-8(2)13/h4-6H,1-3H3,(H,12,13) |
| InChIKey |
ZWPVMENHJDYQOO-UHFFFAOYSA-N |
| Molecular Weight |
207.229 g/mol |
| SMILES |
C1(NC(C)=O)=C(C(=CC=C1)C(=O)OC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.917603 |
