| SpectraBase Compound ID | 2jE6AXvvgut |
|---|---|
| InChI | InChI=1S/C12H17NO4/c1-15-10-5-4-9(8-11(10)16-2)6-7-13-12(14)17-3/h4-5,8H,6-7H2,1-3H3,(H,13,14) |
| InChIKey | QWVUVTBOECVPCA-UHFFFAOYSA-N |
| Mol Weight | 239.27 g/mol |
| Molecular Formula | C12H17NO4 |
| Exact Mass | 239.115758 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | VUTn7YGQVm |
|---|---|
| Name | 3,4-Dimethoxyphenethylamine, N-methoxycarbonyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 239.115758027 u |
| Formula | C12H17NO4 |
| InChI | InChI=1S/C12H17NO4/c1-15-10-5-4-9(8-11(10)16-2)6-7-13-12(14)17-3/h4-5,8H,6-7H2,1-3H3,(H,13,14) |
| InChIKey | QWVUVTBOECVPCA-UHFFFAOYSA-N |
| Molecular Weight | 239.271 g/mol |
| SMILES | C(OC)(=O)NCCC=1C=C(OC)C(OC)=CC1 |