![(4'-Methoxy-[1,1'-biphenyl]-2-yl)methyl acetate-d3](/api/spectrum/JsBw2lBSbZU/structure.png?h=300&w=458 "(4'-Methoxy-[1,1'-biphenyl]-2-yl)methyl acetate-d3")
| SpectraBase Compound ID | 7pRWRpkIbr1 |
|---|---|
| InChI | InChI=1S/C16H16O3/c1-12(17)19-11-14-5-3-4-6-16(14)13-7-9-15(18-2)10-8-13/h3-10H,11H2,1-2H3/i1D3 |
| InChIKey | WSPRRFYTAHAFMW-FIBGUPNXSA-N |
| Mol Weight | 259.32 g/mol |
| Molecular Formula | C16H13D3O3 |
| Exact Mass | 259.128775 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JsBw2lBSbZU |
|---|---|
| Name | (4'-Methoxy-[1,1'-biphenyl]-2-yl)methyl acetate-D3 |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 259.128774610 u |
| Formula | C16H13D3O3 |
| InChI | InChI=1S/C16H16O3/c1-12(17)19-11-14-5-3-4-6-16(14)13-7-9-15(18-2)10-8-13/h3-10H,11H2,1-2H3/i1D3 |
| InChIKey | WSPRRFYTAHAFMW-FIBGUPNXSA-N |
| Molecular Weight | 259.319 g/mol |
| SMILES | C1=CC(=C(C=C1)C1=CC=C(C=C1)OC)COC(C([D])([D])[D])=O |