| SpectraBase Compound ID | J7KY9vT9kJ4 |
|---|---|
| InChI | InChI=1S/C11H10O3/c1-7-6-8-4-3-5-9(13-2)10(8)11(12)14-7/h3-6H,1-2H3 |
| InChIKey | FVUUBMHYXQNJEA-UHFFFAOYSA-N |
| Mol Weight | 190.2 g/mol |
| Molecular Formula | C11H10O3 |
| Exact Mass | 190.062994 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | I9euQdlIVMJ |
|---|---|
| Name | Isocoumarin, 8-methoxy-3-methyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 190.062994179 u |
| Formula | C11H10O3 |
| InChI | InChI=1S/C11H10O3/c1-7-6-8-4-3-5-9(13-2)10(8)11(12)14-7/h3-6H,1-2H3 |
| InChIKey | FVUUBMHYXQNJEA-UHFFFAOYSA-N |
| Molecular Weight | 190.198 g/mol |
| SMILES | C12=C(C=CC=C2C=C(OC1=O)C)OC |