| SpectraBase Compound ID | L4VhHokEMwS |
|---|---|
| InChI | InChI=1S/C15H23NO2.C4H6O6/c1-4-7-13-8-5-6-9-15(13)18-11-14(17)10-16-12(2)3;5-1(3(7)8)2(6)4(9)10/h4-6,8-9,12,14,16-17H,1,7,10-11H2,2-3H3;1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/m.0/s1 |
| InChIKey | MADUQKMQKQDWJH-WUUYCOTASA-N |
| Mol Weight | 399.44 g/mol |
| Molecular Formula | C19H29NO8 |
| Exact Mass | 399.189317 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 2HQLEB3B5zR |
|---|---|
| Name | Alprenolol-D-tartrate in kbr |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 399.189316890 u |
| Formula | C19H29NO8 |
| InChI | InChI=1S/C15H23NO2.C4H6O6/c1-4-7-13-8-5-6-9-15(13)18-11-14(17)10-16-12(2)3;5-1(3(7)8)2(6)4(9)10/h4-6,8-9,12,14,16-17H,1,7,10-11H2,2-3H3;1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/m.0/s1 |
| InChIKey | MADUQKMQKQDWJH-WUUYCOTASA-N |
| Molecular Weight | 399.440 g/mol |
| SMILES | O[C@@]([C@@](C(O)=O)(O)[H])(C(O)=O)[H].N(C(C)C)CC(O)COC1=CC=CC=C1CC=C |
| Spectrum/Structure Validation Score (Raman) | 0.936666 |