| SpectraBase Compound ID | 3rnViwFiLoB |
|---|---|
| InChI | InChI=1S/C16H19ClO4/c1-3-4-5-10-20-15(18)8-9-16(19)21-13-6-7-14(17)12(2)11-13/h3,6-7,11H,1,4-5,8-10H2,2H3 |
| InChIKey | DOOVWLPCEAOMLM-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 | Kt1iTkk8QBX |
|---|---|
| Name | Succinic acid, 4-chloro-3-methylphenyl pent-4-en-1-yl 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/c1-3-4-5-10-20-15(18)8-9-16(19)21-13-6-7-14(17)12(2)11-13/h3,6-7,11H,1,4-5,8-10H2,2H3 |
| InChIKey | DOOVWLPCEAOMLM-UHFFFAOYSA-N |
| Molecular Weight | 310.777 g/mol |
| SMILES | C(CC(OC1=CC(C)=C(C=C1)Cl)=O)C(OCCCC=C)=O |