| SpectraBase Compound ID | Dksd2nBB4YA |
|---|---|
| InChI | InChI=1S/C19H34O4/c1-5-14-22-18(20)11-6-7-12-19(21)23-15-13-17(4)10-8-9-16(2)3/h9,17H,5-8,10-15H2,1-4H3 |
| InChIKey | JGZDRQVWOPDJRK-UHFFFAOYSA-N |
| Mol Weight | 326.5 g/mol |
| Molecular Formula | C19H34O4 |
| Exact Mass | 326.24571 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 21VF7jNRjGu |
|---|---|
| Name | Adipic acid, .beta.-citronellyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 326.245709571 u |
| Formula | C19H34O4 |
| InChI | InChI=1S/C19H34O4/c1-5-14-22-18(20)11-6-7-12-19(21)23-15-13-17(4)10-8-9-16(2)3/h9,17H,5-8,10-15H2,1-4H3 |
| InChIKey | JGZDRQVWOPDJRK-UHFFFAOYSA-N |
| Molecular Weight | 326.477 g/mol |
| SMILES | C(CCCC(OCCC(C)CCC=C(C)C)=O)C(OCCC)=O |