![Benzenepropanol, .alpha.,.gamma.,4-trimethyl-, [S-(R*,S*)]-](/api/spectrum/BHWTxkJ3qi1/structure.png?h=300&w=458 "Benzenepropanol, .alpha.,.gamma.,4-trimethyl-, [S-(R*,S*)]-")
| SpectraBase Compound ID | Ee4SSOrzmXM |
|---|---|
| InChI | InChI=1S/C12H18O/c1-9-4-6-12(7-5-9)10(2)8-11(3)13/h4-7,10-11,13H,8H2,1-3H3/t10-,11+/m1/s1 |
| InChIKey | OPNHPFQSAFEZGG-MNOVXSKESA-N |
| Mol Weight | 178.27 g/mol |
| Molecular Formula | C12H18O |
| Exact Mass | 178.135765 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BHWTxkJ3qi1 |
|---|---|
| Name | Benzenepropanol, .alpha.,.gamma.,4-trimethyl-, [S-(R*,S*)]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 178.135765199 u |
| Formula | C12H18O |
| InChI | InChI=1S/C12H18O/c1-9-4-6-12(7-5-9)10(2)8-11(3)13/h4-7,10-11,13H,8H2,1-3H3/t10-,11+/m1/s1 |
| InChIKey | OPNHPFQSAFEZGG-MNOVXSKESA-N |
| Molecular Weight | 178.275 g/mol |
| SMILES | C=1([C@@](C[C@@](O)(C)[H])(C)[H])C=CC(=CC1)C |