| SpectraBase Compound ID | JAsBL5koMvG |
|---|---|
| InChI | InChI=1S/C8H14O3/c9-5-6-1-3-7(4-2-6)8(10)11/h6-7,9H,1-5H2,(H,10,11)/t6-,7+ |
| InChIKey | VQMIUUBKKPIDBN-KNVOCYPGSA-N |
| Mol Weight | 158.2 g/mol |
| Molecular Formula | C8H14O3 |
| Exact Mass | 158.094294 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6Kq9STo1Kt5 |
|---|---|
| Name | cis-4-(Hydroxymethyl)cyclohexanecarboxylic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 158.094294308 u |
| Formula | C8H14O3 |
| InChI | InChI=1S/C8H14O3/c9-5-6-1-3-7(4-2-6)8(10)11/h6-7,9H,1-5H2,(H,10,11)/t6-,7+ |
| InChIKey | VQMIUUBKKPIDBN-KNVOCYPGSA-N |
| Molecular Weight | 158.197 g/mol |
| SMILES | [C@]1(CC[C@](CC1)(CO)[H])(C(=O)O)[H] |