| SpectraBase Spectrum ID |
1MyDEaOjQLs |
| Name |
2-Amino-m-cresol, N,N,o-triacetyl- |
| 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/c1-8-6-5-7-12(18-11(4)17)13(8)14(9(2)15)10(3)16/h5-7H,1-4H3 |
| InChIKey |
WBFLOTNXTHKLFU-UHFFFAOYSA-N |
| Molecular Weight |
249.266 g/mol |
| SMILES |
C1(=C(C(=CC=C1)C)N(C(=O)C)C(=O)C)OC(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.949883 |
