| SpectraBase Compound ID | 7qucNuBsVhJ |
|---|---|
| InChI | InChI=1S/C22H38O3/c1-3-4-12-17-22(25-19(2)23)21(24)18-20-15-13-10-8-6-5-7-9-11-14-16-20/h18,22H,3-17H2,1-2H3 |
| InChIKey | ATBRBEUQTQZOCF-UHFFFAOYSA-N |
| Mol Weight | 350.5 g/mol |
| Molecular Formula | C22H38O3 |
| Exact Mass | 350.282095 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8pX85OM5KXZ |
|---|---|
| Name | (1-Cyclododecylidene-2-oxidanylidene-octan-3-yl) ethanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 350.282095081 u |
| Formula | C22H38O3 |
| InChI | InChI=1S/C22H38O3/c1-3-4-12-17-22(25-19(2)23)21(24)18-20-15-13-10-8-6-5-7-9-11-14-16-20/h18,22H,3-17H2,1-2H3 |
| InChIKey | ATBRBEUQTQZOCF-UHFFFAOYSA-N |
| Molecular Weight | 350.543 g/mol |
| SMILES | C(C(C(OC(=O)C)CCCCC)=O)=C1CCCCCCCCCCC1 |