| SpectraBase Compound ID | IItlFCnFzLA |
|---|---|
| InChI | InChI=1S/C8H8O3.C6H15NO/c9-7(8(10)11)6-4-2-1-3-5-6;1-2-3-6(7)4-5-8/h1-5,7,9H,(H,10,11);6,8H,2-5,7H2,1H3 |
| InChIKey | YEKJSPSEZMJJBQ-UHFFFAOYSA-N |
| Mol Weight | 269.34 g/mol |
| Molecular Formula | C14H23NO4 |
| Exact Mass | 269.162708 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2tS0WxeFhU8 |
|---|---|
| Name | 3-Amino-1-hexanol, mandelate (salt) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 269.162708221 u |
| Formula | C14H23NO4 |
| InChI | InChI=1S/C8H8O3.C6H15NO/c9-7(8(10)11)6-4-2-1-3-5-6;1-2-3-6(7)4-5-8/h1-5,7,9H,(H,10,11);6,8H,2-5,7H2,1H3 |
| InChIKey | YEKJSPSEZMJJBQ-UHFFFAOYSA-N |
| Molecular Weight | 269.341 g/mol |
| SMILES | NC(CCO)CCC.OC(C(O)=O)C=1C=CC=CC1 |