| SpectraBase Compound ID | AESgiKfp2qz |
|---|---|
| InChI | InChI=1S/C18H35ClO2/c1-3-4-5-6-7-8-9-10-11-14-17(2)21-18(20)15-12-13-16-19/h17H,3-16H2,1-2H3 |
| InChIKey | CMCIREZBJQDCSX-UHFFFAOYSA-N |
| Mol Weight | 318.9 g/mol |
| Molecular Formula | C18H35ClO2 |
| Exact Mass | 318.232558 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AkPEUfRKUkC |
|---|---|
| Name | 5-Chlorovaleric acid, 2-tridecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 318.232558065 u |
| Formula | C18H35ClO2 |
| InChI | InChI=1S/C18H35ClO2/c1-3-4-5-6-7-8-9-10-11-14-17(2)21-18(20)15-12-13-16-19/h17H,3-16H2,1-2H3 |
| InChIKey | CMCIREZBJQDCSX-UHFFFAOYSA-N |
| Molecular Weight | 318.929 g/mol |
| SMILES | CC(OC(CCCCCl)=O)CCCCCCCCCCC |