| SpectraBase Compound ID | D1Qktd6idKv |
|---|---|
| InChI | InChI=1S/C13H24O3/c1-13(2,3)10-16-12(14)15-9-11-7-5-4-6-8-11/h11H,4-10H2,1-3H3 |
| InChIKey | JHYJFXWJFIIVJX-UHFFFAOYSA-N |
| Mol Weight | 228.33 g/mol |
| Molecular Formula | C13H24O3 |
| Exact Mass | 228.172545 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8uYzkWEtFEi |
|---|---|
| Name | Carbonic acid, neopentyl cyclohexylmethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 228.172544630 u |
| Formula | C13H24O3 |
| InChI | InChI=1S/C13H24O3/c1-13(2,3)10-16-12(14)15-9-11-7-5-4-6-8-11/h11H,4-10H2,1-3H3 |
| InChIKey | JHYJFXWJFIIVJX-UHFFFAOYSA-N |
| Molecular Weight | 228.332 g/mol |
| SMILES | CC(COC(=O)OCC1CCCCC1)(C)C |