| SpectraBase Compound ID | 5rgPDfF5FZw |
|---|---|
| InChI | InChI=1S/C16H18O3/c1-18-16-11-13(9-10-17)7-8-15(16)19-12-14-5-3-2-4-6-14/h2-8,11,17H,9-10,12H2,1H3 |
| InChIKey | VYGZUMHSOJKVSQ-UHFFFAOYSA-N |
| Mol Weight | 258.32 g/mol |
| Molecular Formula | C16H18O3 |
| Exact Mass | 258.125594 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 75bfIf2rD0K |
|---|---|
| Name | Benzeneethanol, 4-benzyloxy-3-methoxy- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 258.125594437 u |
| Formula | C16H18O3 |
| InChI | InChI=1S/C16H18O3/c1-18-16-11-13(9-10-17)7-8-15(16)19-12-14-5-3-2-4-6-14/h2-8,11,17H,9-10,12H2,1H3 |
| InChIKey | VYGZUMHSOJKVSQ-UHFFFAOYSA-N |
| Molecular Weight | 258.317 g/mol |
| SMILES | C1=C(C=C(C(=C1)OCC1=CC=CC=C1)OC)CCO |