| SpectraBase Compound ID | G54DELNbDut |
|---|---|
| InChI | InChI=1S/C20H37ClO4/c1-3-4-5-10-13-16-24-19(22)14-11-8-6-7-9-12-15-20(23)25-17-18(2)21/h18H,3-17H2,1-2H3 |
| InChIKey | YPPUTKLLCIPIEW-UHFFFAOYSA-N |
| Mol Weight | 377.0 g/mol |
| Molecular Formula | C20H37ClO4 |
| Exact Mass | 376.238037 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ft5SegsSdl0 |
|---|---|
| Name | Sebacic acid, 2-chloropropyl heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 376.238037367 u |
| Formula | C20H37ClO4 |
| InChI | InChI=1S/C20H37ClO4/c1-3-4-5-10-13-16-24-19(22)14-11-8-6-7-9-12-15-20(23)25-17-18(2)21/h18H,3-17H2,1-2H3 |
| InChIKey | YPPUTKLLCIPIEW-UHFFFAOYSA-N |
| Molecular Weight | 376.965 g/mol |
| SMILES | C(CCCC(OCC(C)Cl)=O)CCCCC(OCCCCCCC)=O |