| SpectraBase Compound ID | IfMu1RuLGtP |
|---|---|
| InChI | InChI=1S/C16H14O3/c1-18-12-8-6-11(7-9-12)10-15-13-4-2-3-5-14(13)16(17)19-15/h2-9,15H,10H2,1H3/t15-/m0/s1 |
| InChIKey | OSLPIRVMPPCRGR-HNNXBMFYSA-N |
| Mol Weight | 254.28 g/mol |
| Molecular Formula | C16H14O3 |
| Exact Mass | 254.094294 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7QwCoVKlOG3 |
|---|---|
| Name | (S)-3-(4-Methoxybenzyl)isobenzofuran-1(3H)-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 254.094294308 u |
| Formula | C16H14O3 |
| InChI | InChI=1S/C16H14O3/c1-18-12-8-6-11(7-9-12)10-15-13-4-2-3-5-14(13)16(17)19-15/h2-9,15H,10H2,1H3/t15-/m0/s1 |
| InChIKey | OSLPIRVMPPCRGR-HNNXBMFYSA-N |
| Molecular Weight | 254.285 g/mol |
| SMILES | C=1C=C2C(=O)O[C@@](CC3=CC=C(C=C3)OC)(C2=CC1)[H] |