| SpectraBase Compound ID | 2edVeRZ80Q5 |
|---|---|
| InChI | InChI=1S/C11H16O2/c1-8(9(2)12)10-4-6-11(13-3)7-5-10/h4-9,12H,1-3H3/t8-,9+/m0/s1 |
| InChIKey | XAZDONJLDVQBEE-DTWKUNHWSA-N |
| Mol Weight | 180.25 g/mol |
| Molecular Formula | C11H16O2 |
| Exact Mass | 180.11503 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IXq0J5S5wz2 |
|---|---|
| Name | Benzeneethanol, 4-methoxy-.alpha.,.beta.-dimethyl-, (R*,R*)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 180.115029753 u |
| Formula | C11H16O2 |
| InChI | InChI=1S/C11H16O2/c1-8(9(2)12)10-4-6-11(13-3)7-5-10/h4-9,12H,1-3H3/t8-,9+/m0/s1 |
| InChIKey | XAZDONJLDVQBEE-DTWKUNHWSA-N |
| Molecular Weight | 180.247 g/mol |
| SMILES | C1([C@]([C@](O)(C)[H])(C)[H])=CC=C(C=C1)OC |