| SpectraBase Compound ID | 2XiGi5pJX7j |
|---|---|
| InChI | InChI=1S/C17H14O3/c1-20-17(19)14-9-5-3-7-12(14)15-10-16(18)13-8-4-2-6-11(13)15/h2-9,15H,10H2,1H3 |
| InChIKey | FZKADBIXGMTXIY-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 | Du1VvV85ZP4 |
|---|---|
| Name | o-(3-oxo-1-Indanyl)benzoic acid, methyl ester |
| 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/c1-20-17(19)14-9-5-3-7-12(14)15-10-16(18)13-8-4-2-6-11(13)15/h2-9,15H,10H2,1H3 |
| InChIKey | FZKADBIXGMTXIY-UHFFFAOYSA-N |
| Molecular Weight | 266.296 g/mol |
| SMILES | C1=C(C(=CC=C1)C1C=2C=CC=CC2C(C1)=O)C(=O)OC |