| SpectraBase Compound ID | IklWgCmP0P4 |
|---|---|
| InChI | InChI=1S/C12H21ClO4/c1-3-4-8-16-11(14)6-5-7-12(15)17-9-10(2)13/h10H,3-9H2,1-2H3 |
| InChIKey | JAXBVRVWYSMYEX-UHFFFAOYSA-N |
| Mol Weight | 264.75 g/mol |
| Molecular Formula | C12H21ClO4 |
| Exact Mass | 264.112837 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FBlqiUH80rr |
|---|---|
| Name | Glutaric acid, butyl 2-chloropropyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 264.112836852 u |
| Formula | C12H21ClO4 |
| InChI | InChI=1S/C12H21ClO4/c1-3-4-8-16-11(14)6-5-7-12(15)17-9-10(2)13/h10H,3-9H2,1-2H3 |
| InChIKey | JAXBVRVWYSMYEX-UHFFFAOYSA-N |
| Molecular Weight | 264.749 g/mol |
| SMILES | CCCCOC(CCCC(OCC(C)Cl)=O)=O |