| SpectraBase Compound ID | HqhfmCtTVUR |
|---|---|
| InChI | InChI=1S/C10H15NO3/c1-11(2)6-10(14)7-3-4-8(12)9(13)5-7/h3-5,10,12-14H,6H2,1-2H3 |
| InChIKey | RLATYNCITHOLTJ-UHFFFAOYSA-N |
| Mol Weight | 197.23 g/mol |
| Molecular Formula | C10H15NO3 |
| Exact Mass | 197.105193 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3Pqocru8R5C |
|---|---|
| Name | Methadrene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 197.105193344 u |
| Formula | C10H15NO3 |
| InChI | InChI=1S/C10H15NO3/c1-11(2)6-10(14)7-3-4-8(12)9(13)5-7/h3-5,10,12-14H,6H2,1-2H3 |
| InChIKey | RLATYNCITHOLTJ-UHFFFAOYSA-N |
| Molecular Weight | 197.234 g/mol |
| SMILES | C1=CC(=CC(=C1O)O)C(O)CN(C)C |