| SpectraBase Compound ID | pdpjxUnWEw |
|---|---|
| InChI | InChI=1S/C17H31ClO4/c1-3-4-13-21-16(19)11-9-7-5-6-8-10-12-17(20)22-14-15(2)18/h15H,3-14H2,1-2H3 |
| InChIKey | PFQZJHMPZXRJHT-UHFFFAOYSA-N |
| Mol Weight | 334.88 g/mol |
| Molecular Formula | C17H31ClO4 |
| Exact Mass | 334.191087 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IyqvaajGCm2 |
|---|---|
| Name | Sebacic acid, butyl 2-chloropropyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 334.191087174 u |
| Formula | C17H31ClO4 |
| InChI | InChI=1S/C17H31ClO4/c1-3-4-13-21-16(19)11-9-7-5-6-8-10-12-17(20)22-14-15(2)18/h15H,3-14H2,1-2H3 |
| InChIKey | PFQZJHMPZXRJHT-UHFFFAOYSA-N |
| Molecular Weight | 334.884 g/mol |
| SMILES | C(CCCC(OCC(C)Cl)=O)CCCCC(OCCCC)=O |