| SpectraBase Compound ID | 2BsMSAthAUf |
|---|---|
| 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 |
| Mol Weight | 235.28 g/mol |
| Molecular Formula | C13H17NO3 |
| Exact Mass | 235.120843 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BMw6nlGgCEV |
|---|---|
| Name | 2-(N-Acetyl-2-acetoxyethylamino)toluene |
| Comments | Computed using HOSE algorithm |
| 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 |