| SpectraBase Compound ID | 5OymBVbD8JQ |
|---|---|
| InChI | InChI=1S/C8H16O3/c1-7(2)5-4-6-11-8(9)10-3/h7H,4-6H2,1-3H3 |
| InChIKey | JNYSMVUKFJENOJ-UHFFFAOYSA-N |
| Mol Weight | 160.21 g/mol |
| Molecular Formula | C8H16O3 |
| Exact Mass | 160.109944 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7GtElHXFp6C |
|---|---|
| Name | Carbonic acid, isohexyl methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 160.109944372 u |
| Formula | C8H16O3 |
| InChI | InChI=1S/C8H16O3/c1-7(2)5-4-6-11-8(9)10-3/h7H,4-6H2,1-3H3 |
| InChIKey | JNYSMVUKFJENOJ-UHFFFAOYSA-N |
| Molecular Weight | 160.213 g/mol |
| SMILES | COC(OCCCC(C)C)=O |