| SpectraBase Compound ID | 7W7krRomaLK |
|---|---|
| InChI | InChI=1S/C17H14O3/c1-11-5-4-6-12(9-11)17-14(10-16(18)19)13-7-2-3-8-15(13)20-17/h2-9H,10H2,1H3,(H,18,19) |
| InChIKey | MYYZXAIJCCVZBH-UHFFFAOYSA-N |
| Mol Weight | 266.3 g/mol |
| Molecular Formula | C17H14O3 |
| Exact Mass | 266.094294 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BWRVbkPjw3u |
|---|---|
| Name | 2-m-Tolyl-3-benzofuranacetic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 266.094294308 u |
| Formula | C17H14O3 |
| InChI | InChI=1S/C17H14O3/c1-11-5-4-6-12(9-11)17-14(10-16(18)19)13-7-2-3-8-15(13)20-17/h2-9H,10H2,1H3,(H,18,19) |
| InChIKey | MYYZXAIJCCVZBH-UHFFFAOYSA-N |
| Molecular Weight | 266.296 g/mol |
| SMILES | OC(CC1=C(OC=2C=CC=CC12)C=1C=CC=C(C1)C)=O |