![2-[N-[1-(2,3-Dihydroxyphenyl)ethyl]amino]acetaldehyde dimethyl acetal hydrochloride](/api/spectrum/BBFnXlnTgKD/structure.png?h=300&w=458 "2-[N-[1-(2,3-Dihydroxyphenyl)ethyl]amino]acetaldehyde dimethyl acetal hydrochloride")
| SpectraBase Compound ID | GcLNHEiBE1Q |
|---|---|
| InChI | InChI=1S/C12H19NO4/c1-8(13-7-11(16-2)17-3)9-5-4-6-10(14)12(9)15/h4-6,8,11,13-15H,7H2,1-3H3 |
| InChIKey | VMVZTLGQYPNVMC-UHFFFAOYSA-N |
| Mol Weight | 241.29 g/mol |
| Molecular Formula | C12H19NO4 |
| Exact Mass | 241.131408 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BBFnXlnTgKD |
|---|---|
| Name | 2-[N-[1-(2,3-Dihydroxyphenyl)ethyl]amino]acetaldehyde dimethyl acetal hydrochloride |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 241.131408092 u |
| Formula | C12H19NO4 |
| InChI | InChI=1S/C12H19NO4/c1-8(13-7-11(16-2)17-3)9-5-4-6-10(14)12(9)15/h4-6,8,11,13-15H,7H2,1-3H3 |
| InChIKey | VMVZTLGQYPNVMC-UHFFFAOYSA-N |
| Molecular Weight | 241.287 g/mol |
| SMILES | C=1(C(=C(O)C=CC1)O)C(NCC(OC)OC)C |