| SpectraBase Compound ID | 6X9SML2gVXl |
|---|---|
| InChI | InChI=1S/C16H21NO5/c1-10(17(5)11(2)18)16(22-13(4)20)14-6-8-15(9-7-14)21-12(3)19/h6-10,16H,1-5H3 |
| InChIKey | MYZSHPFAJMIRBA-UHFFFAOYSA-N |
| Mol Weight | 307.35 g/mol |
| Molecular Formula | C16H21NO5 |
| Exact Mass | 307.141973 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JVOnjCBvPxs |
|---|---|
| Name | 4-(1-Acetoxy-2-(N-methylacetamido)propyl)phenyl acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 307.141972775 u |
| Formula | C16H21NO5 |
| InChI | InChI=1S/C16H21NO5/c1-10(17(5)11(2)18)16(22-13(4)20)14-6-8-15(9-7-14)21-12(3)19/h6-10,16H,1-5H3 |
| InChIKey | MYZSHPFAJMIRBA-UHFFFAOYSA-N |
| Molecular Weight | 307.346 g/mol |
| SMILES | C1=C(C=CC(=C1)C(C(C)N(C)C(C)=O)OC(C)=O)OC(C)=O |