| SpectraBase Spectrum ID |
DbUDt1iscew |
| Name |
2-(N-Acetyl-2-acetoxyethylamino)toluene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
235.120843408 u |
| Formula |
C13H17NO3 |
| InChI |
InChI=1S/C13H17NO3/c1-10-6-4-5-7-13(10)14(11(2)15)8-9-17-12(3)16/h4-7H,8-9H2,1-3H3 |
| InChIKey |
ICTRVJDZFDRVOX-UHFFFAOYSA-N |
| Molecular Weight |
235.283 g/mol |
| SMILES |
C1(=C(C=CC=C1)N(CCOC(=O)C)C(=O)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.920128 |
