| SpectraBase Compound ID | IWS2louSx6L |
|---|---|
| InChI | InChI=1S/C15H19NO3/c1-12(17)19-10-4-7-15(18)16-9-8-13-5-2-3-6-14(13)11-16/h2-3,5-6H,4,7-11H2,1H3 |
| InChIKey | TTZXBAAAKCGYTQ-UHFFFAOYSA-N |
| Mol Weight | 261.32 g/mol |
| Molecular Formula | C15H19NO3 |
| Exact Mass | 261.136493 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5s61BO9Z9TV |
|---|---|
| Name | 4-Acetoxy-1-(3',4'-dihydro-1H-isoquinolin-2'-yl)butan-1-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 261.136493473 u |
| Formula | C15H19NO3 |
| InChI | InChI=1S/C15H19NO3/c1-12(17)19-10-4-7-15(18)16-9-8-13-5-2-3-6-14(13)11-16/h2-3,5-6H,4,7-11H2,1H3 |
| InChIKey | TTZXBAAAKCGYTQ-UHFFFAOYSA-N |
| Molecular Weight | 261.321 g/mol |
| SMILES | C(N1CC=2C=CC=CC2CC1)(=O)CCCOC(=O)C |