| SpectraBase Compound ID | Ej9bAL0ihiB |
|---|---|
| InChI | InChI=1S/C6H12O3/c7-5-3-1-2-4-6(8)9/h7H,1-5H2,(H,8,9) |
| InChIKey | IWHLYPDWHHPVAA-UHFFFAOYSA-N |
| Mol Weight | 132.16 g/mol |
| Molecular Formula | C6H12O3 |
| Exact Mass | 132.078644 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5IMS2a3e6NF |
|---|---|
| Name | 6-Hydroxycaproic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 132.078644243 u |
| Formula | C6H12O3 |
| InChI | InChI=1S/C6H12O3/c7-5-3-1-2-4-6(8)9/h7H,1-5H2,(H,8,9) |
| InChIKey | IWHLYPDWHHPVAA-UHFFFAOYSA-N |
| SMILES | C(=O)(O)CCCCCO |