| SpectraBase Compound ID | 13dSnHdmS44 |
|---|---|
| InChI | InChI=1S/C10H16O3/c11-9-5-3-1-2-4-8(9)6-7-10(12)13/h8H,1-7H2,(H,12,13) |
| InChIKey | SFHDQBYIIGKQCC-UHFFFAOYSA-N |
| Mol Weight | 184.23 g/mol |
| Molecular Formula | C10H16O3 |
| Exact Mass | 184.109944 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LfYRhsWzclY |
|---|---|
| Name | 3-(2-Ketocycloheptyl)propionic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 184.109944372 u |
| Formula | C10H16O3 |
| InChI | InChI=1S/C10H16O3/c11-9-5-3-1-2-4-8(9)6-7-10(12)13/h8H,1-7H2,(H,12,13) |
| InChIKey | SFHDQBYIIGKQCC-UHFFFAOYSA-N |
| Molecular Weight | 184.235 g/mol |
| SMILES | C1(=O)C(CCC(=O)O)CCCCC1 |