| SpectraBase Compound ID | CzcfaOrNaXB |
|---|---|
| InChI | InChI=1S/C15H29ClO2/c1-4-13(5-2)10-11-14(6-3)18-15(17)9-7-8-12-16/h13-14H,4-12H2,1-3H3 |
| InChIKey | IOVOTAPGOQVEHA-UHFFFAOYSA-N |
| Mol Weight | 276.85 g/mol |
| Molecular Formula | C15H29ClO2 |
| Exact Mass | 276.185608 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2XxPxeIzgBe |
|---|---|
| Name | 5-Chloropentanoic acid, 6-ethyl-3-octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 276.185607872 u |
| Formula | C15H29ClO2 |
| InChI | InChI=1S/C15H29ClO2/c1-4-13(5-2)10-11-14(6-3)18-15(17)9-7-8-12-16/h13-14H,4-12H2,1-3H3 |
| InChIKey | IOVOTAPGOQVEHA-UHFFFAOYSA-N |
| Molecular Weight | 276.848 g/mol |
| SMILES | C(OC(CCCCCl)=O)(CCC(CC)CC)CC |