| SpectraBase Compound ID | GI9VNFMf4Rs |
|---|---|
| InChI | InChI=1S/C10H12O3/c1-8-4-2-3-5-9(8)13-7-6-10(11)12/h2-5H,6-7H2,1H3,(H,11,12) |
| InChIKey | WDBZEBXYXWWDPJ-UHFFFAOYSA-N |
| Mol Weight | 180.2 g/mol |
| Molecular Formula | C10H12O3 |
| Exact Mass | 180.078644 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6g4oIfX5Erp |
|---|---|
| Name | Propanoic acid, 3-(2-methylphenoxy)-,; propionic acid, o-methylphenoxy |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 180.078644243 u |
| Formula | C10H12O3 |
| InChI | InChI=1S/C10H12O3/c1-8-4-2-3-5-9(8)13-7-6-10(11)12/h2-5H,6-7H2,1H3,(H,11,12) |
| InChIKey | WDBZEBXYXWWDPJ-UHFFFAOYSA-N |
| Molecular Weight | 180.203 g/mol |
| SMILES | OC(CCOC1=CC=CC=C1C)=O |