| SpectraBase Compound ID | FIWuUbXjEfl |
|---|---|
| InChI | InChI=1S/C18H30O/c1-4-6-13-18(19,14-7-5-2)16(3)15-17-11-9-8-10-12-17/h8-12,16,19H,4-7,13-15H2,1-3H3/t16-/m0/s1 |
| InChIKey | GSDCWUYKXBAFHB-INIZCTEOSA-N |
| Mol Weight | 262.44 g/mol |
| Molecular Formula | C18H30O |
| Exact Mass | 262.229666 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KolF6Es3m4K |
|---|---|
| Name | (S)-3-Butyl-2-methyl-1-phenylheptan-3-ol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 262.229665585 u |
| Formula | C18H30O |
| InChI | InChI=1S/C18H30O/c1-4-6-13-18(19,14-7-5-2)16(3)15-17-11-9-8-10-12-17/h8-12,16,19H,4-7,13-15H2,1-3H3/t16-/m0/s1 |
| InChIKey | GSDCWUYKXBAFHB-INIZCTEOSA-N |
| Molecular Weight | 262.437 g/mol |
| SMILES | C([C@](CC=1C=CC=CC1)(C)[H])(O)(CCCC)CCCC |