| SpectraBase Compound ID | K4nAt43Dz5s |
|---|---|
| InChI | InChI=1S/C17H28O2/c1-15(11-12-18)7-6-8-16(2)13-19-14-17-9-4-3-5-10-17/h3-5,9-10,15-16,18H,6-8,11-14H2,1-2H3/t15-,16-/m1/s1 |
| InChIKey | VNTGCCOQPRPJKP-HZPDHXFCSA-N |
| Mol Weight | 264.41 g/mol |
| Molecular Formula | C17H28O2 |
| Exact Mass | 264.20893 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9n6S6jsEqNZ |
|---|---|
| Name | (+)-(3R,7R)-8-benzyloxy-3,7-dimethyloctan-1-ol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 264.208930140 u |
| Formula | C17H28O2 |
| InChI | InChI=1S/C17H28O2/c1-15(11-12-18)7-6-8-16(2)13-19-14-17-9-4-3-5-10-17/h3-5,9-10,15-16,18H,6-8,11-14H2,1-2H3/t15-,16-/m1/s1 |
| InChIKey | VNTGCCOQPRPJKP-HZPDHXFCSA-N |
| Molecular Weight | 264.409 g/mol |
| SMILES | C(OC[C@@](CCC[C@](CCO)(C)[H])(C)[H])C=1C=CC=CC1 |