| SpectraBase Compound ID | IBxd70C521Q |
|---|---|
| InChI | InChI=1S/C12H14O4/c1-15-10-4-2-3-8-7-9(5-6-13)16-12(14)11(8)10/h2-4,9,13H,5-7H2,1H3 |
| InChIKey | ONKHHRPGSSPYEX-UHFFFAOYSA-N |
| Mol Weight | 222.24 g/mol |
| Molecular Formula | C12H14O4 |
| Exact Mass | 222.089209 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8LmrP9O9li3 |
|---|---|
| Name | 8-Methoxy-3-(2-hydroxyethyl)-3,4-dihydroisocoumarin |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 222.089208927 u |
| Formula | C12H14O4 |
| InChI | InChI=1S/C12H14O4/c1-15-10-4-2-3-8-7-9(5-6-13)16-12(14)11(8)10/h2-4,9,13H,5-7H2,1H3 |
| InChIKey | ONKHHRPGSSPYEX-UHFFFAOYSA-N |
| Molecular Weight | 222.240 g/mol |
| SMILES | C1(=O)OC(CC=2C=CC=C(C12)OC)CCO |