| SpectraBase Compound ID | DOYzOaUdzqN |
|---|---|
| InChI | InChI=1S/C12H18O2/c1-9(6-7-13)11-5-4-10(2)12(8-11)14-3/h4-5,8-9,13H,6-7H2,1-3H3/t9-/m0/s1 |
| InChIKey | ZQHLKMDAHPDGMY-VIFPVBQESA-N |
| Mol Weight | 194.27 g/mol |
| Molecular Formula | C12H18O2 |
| Exact Mass | 194.13068 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2yQrAwrDyqZ |
|---|---|
| Name | (3S)-3-(3-Methoxy-4-methylphenyl)butan-1-ol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 194.130679818 u |
| Formula | C12H18O2 |
| InChI | InChI=1S/C12H18O2/c1-9(6-7-13)11-5-4-10(2)12(8-11)14-3/h4-5,8-9,13H,6-7H2,1-3H3/t9-/m0/s1 |
| InChIKey | ZQHLKMDAHPDGMY-VIFPVBQESA-N |
| Molecular Weight | 194.274 g/mol |
| SMILES | C=1C(=CC=C(C1OC)C)[C@](CCO)(C)[H] |