| SpectraBase Compound ID | Gm85YiAZWjI |
|---|---|
| InChI | InChI=1S/C12H17NO3/c1-3-9(13-2)12(14)8-4-5-10-11(6-8)16-7-15-10/h4-6,9,12-14H,3,7H2,1-2H3 |
| InChIKey | VTUYVPHJJVAOIE-UHFFFAOYSA-N |
| Mol Weight | 223.27 g/mol |
| Molecular Formula | C12H17NO3 |
| Exact Mass | 223.120843 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1SepORL9a9W |
|---|---|
| Name | Butylone-m (beta-oh) I |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 223.120843408 u |
| Formula | C12H17NO3 |
| InChI | InChI=1S/C12H17NO3/c1-3-9(13-2)12(14)8-4-5-10-11(6-8)16-7-15-10/h4-6,9,12-14H,3,7H2,1-2H3 |
| InChIKey | VTUYVPHJJVAOIE-UHFFFAOYSA-N |
| Molecular Weight | 223.272 g/mol |
| SMILES | C=1(C(C(NC)CC)O)C=C2C(=CC1)OCO2 |