| SpectraBase Compound ID | FSH7tcBQ6U8 |
|---|---|
| InChI | InChI=1S/C12H12O3/c1-8(2)14-10-5-3-9-4-6-12(13)15-11(9)7-10/h3-8H,1-2H3 |
| InChIKey | XQYLBTNCDDGLDJ-UHFFFAOYSA-N |
| Mol Weight | 204.22 g/mol |
| Molecular Formula | C12H12O3 |
| Exact Mass | 204.078644 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A3YL0HSL2rB |
|---|---|
| Name | 7-(Isopropyl)oxycoumarin |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 204.078644243 u |
| Formula | C12H12O3 |
| InChI | InChI=1S/C12H12O3/c1-8(2)14-10-5-3-9-4-6-12(13)15-11(9)7-10/h3-8H,1-2H3 |
| InChIKey | XQYLBTNCDDGLDJ-UHFFFAOYSA-N |
| Molecular Weight | 204.225 g/mol |
| SMILES | C1(=CC=C2C(=C1)OC(=O)C=C2)OC(C)C |