| SpectraBase Compound ID | 3hMQRgK76Ur |
|---|---|
| InChI | InChI=1S/C11H12O3/c1-2-7-13-11-9-6-4-3-5-8(9)10(12)14-11/h3-6,11H,2,7H2,1H3 |
| InChIKey | DKKKJUOXSSKXPX-UHFFFAOYSA-N |
| Mol Weight | 192.21 g/mol |
| Molecular Formula | C11H12O3 |
| Exact Mass | 192.078644 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1iayozhwxdK |
|---|---|
| Name | 3-Propoxyphthalide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 192.078644243 u |
| Formula | C11H12O3 |
| InChI | InChI=1S/C11H12O3/c1-2-7-13-11-9-6-4-3-5-8(9)10(12)14-11/h3-6,11H,2,7H2,1H3 |
| InChIKey | DKKKJUOXSSKXPX-UHFFFAOYSA-N |
| Molecular Weight | 192.214 g/mol |
| SMILES | C1(OC(C=2C=CC=CC12)OCCC)=O |