| SpectraBase Compound ID | 3lU4aFn3glW |
|---|---|
| InChI | InChI=1S/C16H27NO/c1-3-5-11-16(17)15(4-2)13-18-12-14-9-7-6-8-10-14/h6-10,15-16H,3-5,11-13,17H2,1-2H3/t15-,16+/m0/s1 |
| InChIKey | HDFUDWSGFRBNEI-JKSUJKDBSA-N |
| Mol Weight | 249.4 g/mol |
| Molecular Formula | C16H27NO |
| Exact Mass | 249.209264 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KlsOzJWfX7t |
|---|---|
| Name | (3R,4R)-3-(Benzyloxymethyl)octan-4-amine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 249.209264492 u |
| Formula | C16H27NO |
| InChI | InChI=1S/C16H27NO/c1-3-5-11-16(17)15(4-2)13-18-12-14-9-7-6-8-10-14/h6-10,15-16H,3-5,11-13,17H2,1-2H3/t15-,16+/m0/s1 |
| InChIKey | HDFUDWSGFRBNEI-JKSUJKDBSA-N |
| Molecular Weight | 249.398 g/mol |
| SMILES | [C@]([C@](N)(CCCC)[H])(COCC=1C=CC=CC1)(CC)[H] |