| SpectraBase Compound ID | Af2v94Cyey9 |
|---|---|
| InChI | InChI=1S/C11H19ClO4/c1-3-4-7-15-10(13)5-6-11(14)16-8-9(2)12/h9H,3-8H2,1-2H3 |
| InChIKey | TUQSZQVARNKNCQ-UHFFFAOYSA-N |
| Mol Weight | 250.72 g/mol |
| Molecular Formula | C11H19ClO4 |
| Exact Mass | 250.097187 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IkFEQ3OiN31 |
|---|---|
| Name | Succinic acid, butyl 2-chloropropyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 250.097186788 u |
| Formula | C11H19ClO4 |
| InChI | InChI=1S/C11H19ClO4/c1-3-4-7-15-10(13)5-6-11(14)16-8-9(2)12/h9H,3-8H2,1-2H3 |
| InChIKey | TUQSZQVARNKNCQ-UHFFFAOYSA-N |
| Molecular Weight | 250.722 g/mol |
| SMILES | C(OCC(C)Cl)(CCC(OCCCC)=O)=O |