| SpectraBase Compound ID | BWtoALxjrJ4 |
|---|---|
| InChI | InChI=1S/C13H17NO3/c1-9(14(10(2)15)11(3)16)13(17)12-7-5-4-6-8-12/h4-9,13,17H,1-3H3 |
| InChIKey | VJTRUVDRAQEXHL-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 | 5slHoH9jcer |
|---|---|
| Name | N,N-Diacetylnorpseudoephedrine |
| 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/c1-9(14(10(2)15)11(3)16)13(17)12-7-5-4-6-8-12/h4-9,13,17H,1-3H3 |
| InChIKey | VJTRUVDRAQEXHL-UHFFFAOYSA-N |
| Molecular Weight | 235.283 g/mol |
| SMILES | O[C@@](C=1C=CC=CC1)([C@](C)(N(C(C)=O)C(C)=O)[H])[H] |