| SpectraBase Compound ID | B6UgzKrJCP9 |
|---|---|
| InChI | InChI=1S/C16H23NO3/c1-17(2)13-9-7-12(8-10-13)11-16(19)20-15-6-4-3-5-14(15)18/h7-10,14-15,18H,3-6,11H2,1-2H3/t14-,15-/m1/s1 |
| InChIKey | JCSVDYSVQZUVKT-HUUCEWRRSA-N |
| Mol Weight | 277.36 g/mol |
| Molecular Formula | C16H23NO3 |
| Exact Mass | 277.167794 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Jad70qOiAjy |
|---|---|
| Name | (1R,2R)-Trans-cyclohexandiol mono-p-dimethylaminophenylacetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 277.167793602 u |
| Formula | C16H23NO3 |
| InChI | InChI=1S/C16H23NO3/c1-17(2)13-9-7-12(8-10-13)11-16(19)20-15-6-4-3-5-14(15)18/h7-10,14-15,18H,3-6,11H2,1-2H3/t14-,15-/m1/s1 |
| InChIKey | JCSVDYSVQZUVKT-HUUCEWRRSA-N |
| SMILES | C(O[C@]1([C@](O)(CCCC1)[H])[H])(=O)CC=1C=CC(N(C)C)=CC1 |