![1,4-Hexanediol, 2-methyl-6-phenyl-, [S-(R*,R*)]-](/api/spectrum/DujW5UwDspj/structure.png?h=300&w=458 "1,4-Hexanediol, 2-methyl-6-phenyl-, [S-(R*,R*)]-")
| SpectraBase Compound ID | 704btRwvnRB |
|---|---|
| InChI | InChI=1S/C13H20O2/c1-11(10-14)9-13(15)8-7-12-5-3-2-4-6-12/h2-6,11,13-15H,7-10H2,1H3/t11-,13-/m0/s1 |
| InChIKey | XGJYDCLWKSURAR-AAEUAGOBSA-N |
| Mol Weight | 208.3 g/mol |
| Molecular Formula | C13H20O2 |
| Exact Mass | 208.14633 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DujW5UwDspj |
|---|---|
| Name | 1,4-Hexanediol, 2-methyl-6-phenyl-, [S-(R*,R*)]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 208.146329882 u |
| Formula | C13H20O2 |
| InChI | InChI=1S/C13H20O2/c1-11(10-14)9-13(15)8-7-12-5-3-2-4-6-12/h2-6,11,13-15H,7-10H2,1H3/t11-,13-/m0/s1 |
| InChIKey | XGJYDCLWKSURAR-AAEUAGOBSA-N |
| Molecular Weight | 208.301 g/mol |
| SMILES | C(C=1C=CC=CC1)C[C@@](C[C@@](CO)(C)[H])(O)[H] |