| SpectraBase Compound ID | 4gtRI2F5bHd |
|---|---|
| InChI | InChI=1S/C13H16O5/c1-9(13(14)15-2)16-7-10-8-17-11-5-3-4-6-12(11)18-10/h3-6,9-10H,7-8H2,1-2H3 |
| InChIKey | NRZKRWRAJLQOHW-UHFFFAOYSA-N |
| Mol Weight | 252.27 g/mol |
| Molecular Formula | C13H16O5 |
| Exact Mass | 252.099774 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KUeCnpHMzLU |
|---|---|
| Name | Methyl 2-(2,3-dihydro-1,4-benzodioxin-2-ylmethoxy)propanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 252.099773610 u |
| Formula | C13H16O5 |
| InChI | InChI=1S/C13H16O5/c1-9(13(14)15-2)16-7-10-8-17-11-5-3-4-6-12(11)18-10/h3-6,9-10H,7-8H2,1-2H3 |
| InChIKey | NRZKRWRAJLQOHW-UHFFFAOYSA-N |
| Molecular Weight | 252.266 g/mol |
| SMILES | C1=CC=C2C(=C1)OCC(COC(C(OC)=O)C)O2 |