| SpectraBase Compound ID | 3ntSCryNdu5 |
|---|---|
| InChI | InChI=1S/C19H34O5/c1-4-5-12-15-23-18(21)13-10-8-6-7-9-11-14-19(22)24-17(3)16(2)20/h17H,4-15H2,1-3H3 |
| InChIKey | DPPUDCSLCKUWAE-UHFFFAOYSA-N |
| Mol Weight | 342.5 g/mol |
| Molecular Formula | C19H34O5 |
| Exact Mass | 342.240624 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | mFPg2WzOMK |
|---|---|
| Name | Sebacic acid, 3-oxobut-2-yl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 342.240624190 u |
| Formula | C19H34O5 |
| InChI | InChI=1S/C19H34O5/c1-4-5-12-15-23-18(21)13-10-8-6-7-9-11-14-19(22)24-17(3)16(2)20/h17H,4-15H2,1-3H3 |
| InChIKey | DPPUDCSLCKUWAE-UHFFFAOYSA-N |
| Molecular Weight | 342.476 g/mol |
| SMILES | C(OC(CCCCCCCCC(OCCCCC)=O)=O)(C(C)=O)C |