| SpectraBase Compound ID | R0bNIPhlkI |
|---|---|
| InChI | InChI=1S/C11H14O3/c1-7-4-8(2)9(3)10(5-7)14-6-11(12)13/h4-5H,6H2,1-3H3,(H,12,13) |
| InChIKey | KNRBIDSSNNIVDN-UHFFFAOYSA-N |
| Mol Weight | 194.23 g/mol |
| Molecular Formula | C11H14O3 |
| Exact Mass | 194.094294 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5rSTKo4vxHG |
|---|---|
| Name | (2,3,5-Trimethylphenoxy)acetic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 194.094294308 u |
| Formula | C11H14O3 |
| InChI | InChI=1S/C11H14O3/c1-7-4-8(2)9(3)10(5-7)14-6-11(12)13/h4-5H,6H2,1-3H3,(H,12,13) |
| InChIKey | KNRBIDSSNNIVDN-UHFFFAOYSA-N |
| Molecular Weight | 194.230 g/mol |
| SMILES | OC(COC=1C(=C(C=C(C1)C)C)C)=O |