| SpectraBase Compound ID | 2eglFlAPnyY |
|---|---|
| InChI | InChI=1S/C16H19ClO4/c1-11(2)8-9-20-15(18)6-7-16(19)21-14-5-4-12(3)10-13(14)17/h4-5,8,10H,6-7,9H2,1-3H3 |
| InChIKey | RSYRNPMUKHQPBL-UHFFFAOYSA-N |
| Mol Weight | 310.78 g/mol |
| Molecular Formula | C16H19ClO4 |
| Exact Mass | 310.097187 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FzARjxvtI5J |
|---|---|
| Name | Succinic acid, 3-methylbut-2-en-1-yl 2-chloro-4-methylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 310.097186788 u |
| Formula | C16H19ClO4 |
| InChI | InChI=1S/C16H19ClO4/c1-11(2)8-9-20-15(18)6-7-16(19)21-14-5-4-12(3)10-13(14)17/h4-5,8,10H,6-7,9H2,1-3H3 |
| InChIKey | RSYRNPMUKHQPBL-UHFFFAOYSA-N |
| Molecular Weight | 310.777 g/mol |
| SMILES | C(CC(OCC=C(C)C)=O)C(OC1=C(C=C(C)C=C1)Cl)=O |