| SpectraBase Compound ID | IIYyxkPq21p |
|---|---|
| InChI | InChI=1S/C16H32O2/c1-7-8-9-10-14(3)18-15(17)11-13(2)12-16(4,5)6/h13-14H,7-12H2,1-6H3 |
| InChIKey | JCMIYHNMLWJKNR-UHFFFAOYSA-N |
| Mol Weight | 256.4 g/mol |
| Molecular Formula | C16H32O2 |
| Exact Mass | 256.24023 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | G9rzxOEwBQT |
|---|---|
| Name | Hexanoic acid, 3,5,5-trimethyl-, hept-2-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 256.240230268 u |
| Formula | C16H32O2 |
| InChI | InChI=1S/C16H32O2/c1-7-8-9-10-14(3)18-15(17)11-13(2)12-16(4,5)6/h13-14H,7-12H2,1-6H3 |
| InChIKey | JCMIYHNMLWJKNR-UHFFFAOYSA-N |
| Molecular Weight | 256.430 g/mol |
| SMILES | C(CC(OC(CCCCC)C)=O)(CC(C)(C)C)C |