| SpectraBase Spectrum ID |
I6Oh1jOZ9qD |
| Name |
Methyl 3-(N-acetylacetamido)-4-methylbenzoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
249.100107963 u |
| Formula |
C13H15NO4 |
| InChI |
InChI=1S/C13H15NO4/c1-8-5-6-11(13(17)18-4)7-12(8)14(9(2)15)10(3)16/h5-7H,1-4H3 |
| InChIKey |
HOKCQPVOFCFDKV-UHFFFAOYSA-N |
| Molecular Weight |
249.266 g/mol |
| SMILES |
C1(N(C(C)=O)C(C)=O)=C(C=CC(=C1)C(=O)OC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.858638 |
