| SpectraBase Compound ID | HdnNQw4z4t7 |
|---|---|
| InChI | InChI=1S/C13H14O3/c14-12(15)7-3-5-10-8-9-4-1-2-6-11(9)13(10)16/h1-2,4,6,10H,3,5,7-8H2,(H,14,15) |
| InChIKey | PNCFPHBTSVKZDB-UHFFFAOYSA-N |
| Mol Weight | 218.25 g/mol |
| Molecular Formula | C13H14O3 |
| Exact Mass | 218.094294 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 729Bki0X3RT |
|---|---|
| Name | 1H-Indene-2-butanoic acid, 2,3-dihydro-1-oxo- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 218.094294308 u |
| Formula | C13H14O3 |
| InChI | InChI=1S/C13H14O3/c14-12(15)7-3-5-10-8-9-4-1-2-6-11(9)13(10)16/h1-2,4,6,10H,3,5,7-8H2,(H,14,15) |
| InChIKey | PNCFPHBTSVKZDB-UHFFFAOYSA-N |
| Molecular Weight | 218.252 g/mol |
| SMILES | C1(C2=C(C=CC=C2)CC1CCCC(=O)O)=O |