| SpectraBase Compound ID | FpdCfc6emj6 |
|---|---|
| InChI | InChI=1S/C12H17NO/c1-9-8-13-10(2)12(14-9)11-6-4-3-5-7-11/h3-7,9-10,12-13H,8H2,1-2H3 |
| InChIKey | FZEIVUHEODGHML-UHFFFAOYSA-N |
| Mol Weight | 191.27 g/mol |
| Molecular Formula | C12H17NO |
| Exact Mass | 191.131014 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2mNPtuAjfrf |
|---|---|
| Name | 3,6-Dmpm |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 191.131014170 u |
| Formula | C12H17NO |
| InChI | InChI=1S/C12H17NO/c1-9-8-13-10(2)12(14-9)11-6-4-3-5-7-11/h3-7,9-10,12-13H,8H2,1-2H3 |
| InChIKey | FZEIVUHEODGHML-UHFFFAOYSA-N |
| Molecular Weight | 191.274 g/mol |
| SMILES | N1C(C(OC(C1)C)C1=CC=CC=C1)C |