| SpectraBase Compound ID | 5UBDIljTmea |
|---|---|
| InChI | InChI=1S/C12H16O3/c1-3-7-14-12(13)9-15-11-6-4-5-10(2)8-11/h4-6,8H,3,7,9H2,1-2H3 |
| InChIKey | GKNYHZJQSKKUMD-UHFFFAOYSA-N |
| Mol Weight | 208.26 g/mol |
| Molecular Formula | C12H16O3 |
| Exact Mass | 208.109944 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1lD6rcBSJAI |
|---|---|
| Name | (m-Tolyloxy)acetic acid, propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 208.109944372 u |
| Formula | C12H16O3 |
| InChI | InChI=1S/C12H16O3/c1-3-7-14-12(13)9-15-11-6-4-5-10(2)8-11/h4-6,8H,3,7,9H2,1-2H3 |
| InChIKey | GKNYHZJQSKKUMD-UHFFFAOYSA-N |
| Molecular Weight | 208.257 g/mol |
| SMILES | C=1C(=CC=CC1C)OCC(OCCC)=O |