| SpectraBase Compound ID | 67QnByMpLW5 |
|---|---|
| InChI | InChI=1S/C16H27NO/c1-3-8-15(9-4-2)17-13-16(18)12-14-10-6-5-7-11-14/h5-7,10-11,15-18H,3-4,8-9,12-13H2,1-2H3/t16-/m1/s1 |
| InChIKey | STLMPLSITMUCRN-MRXNPFEDSA-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 | 4eS4iGh3xBW |
|---|---|
| Name | (R)-1-(Heptan-4-ylamino)-3-phenylpropan-2-ol |
| 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/c1-3-8-15(9-4-2)17-13-16(18)12-14-10-6-5-7-11-14/h5-7,10-11,15-18H,3-4,8-9,12-13H2,1-2H3/t16-/m1/s1 |
| InChIKey | STLMPLSITMUCRN-MRXNPFEDSA-N |
| Molecular Weight | 249.398 g/mol |
| SMILES | C(NC(CCC)CCC)[C@@](CC=1C=CC=CC1)(O)[H] |