| SpectraBase Compound ID | rNMTjRILBN |
|---|---|
| InChI | InChI=1S/C22H44O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-22(23)25-20-21(2)3/h21H,4-20H2,1-3H3 |
| InChIKey | JUYGQJRFWPAZRE-UHFFFAOYSA-N |
| Mol Weight | 356.6 g/mol |
| Molecular Formula | C22H44O3 |
| Exact Mass | 356.329045 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7bBPVGkty5a |
|---|---|
| Name | Carbonic acid, heptadecyl isobutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 356.329045274 u |
| Formula | C22H44O3 |
| InChI | InChI=1S/C22H44O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-22(23)25-20-21(2)3/h21H,4-20H2,1-3H3 |
| InChIKey | JUYGQJRFWPAZRE-UHFFFAOYSA-N |
| Molecular Weight | 356.591 g/mol |
| SMILES | CC(COC(OCCCCCCCCCCCCCCCCC)=O)C |