| SpectraBase Compound ID | Ag7r0unY8IB |
|---|---|
| InChI | InChI=1S/C18H25NO4/c1-11(10-20)5-13-9-19-4-3-12-6-18(23-2)17(22)7-14(12)15(19)8-16(13)21/h6-7,11,13,15,20,22H,3-5,8-10H2,1-2H3 |
| InChIKey | ALMDTPRROBZWOO-UHFFFAOYSA-N |
| Mol Weight | 319.4 g/mol |
| Molecular Formula | C18H25NO4 |
| Exact Mass | 319.178358 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 78FIpGk83Nw |
|---|---|
| Name | Tetrabenazine-m (o-demethyl-ho-) P1028 |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 319.178358285 u |
| Formula | C18H25NO4 |
| InChI | InChI=1S/C18H25NO4/c1-11(10-20)5-13-9-19-4-3-12-6-18(23-2)17(22)7-14(12)15(19)8-16(13)21/h6-7,11,13,15,20,22H,3-5,8-10H2,1-2H3 |
| InChIKey | ALMDTPRROBZWOO-UHFFFAOYSA-N |
| Molecular Weight | 319.401 g/mol |
| SMILES | C12N(CC(C(C2)=O)CC(CO)C)CCC2=CC(=C(C=C12)O)OC |