| SpectraBase Compound ID | A4cX3Rv3H1s |
|---|---|
| InChI | InChI=1S/C16H19ClO4/c1-12(2)9-10-20-15(18)7-4-8-16(19)21-14-6-3-5-13(17)11-14/h3,5-6,9,11H,4,7-8,10H2,1-2H3 |
| InChIKey | BQZFTEJHXQCXQV-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 | 93r8It277rw |
|---|---|
| Name | Glutaric acid, 3-methylbut-2-en-1-yl 3-chlorophenyl 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/c1-12(2)9-10-20-15(18)7-4-8-16(19)21-14-6-3-5-13(17)11-14/h3,5-6,9,11H,4,7-8,10H2,1-2H3 |
| InChIKey | BQZFTEJHXQCXQV-UHFFFAOYSA-N |
| Molecular Weight | 310.777 g/mol |
| SMILES | C(CCC(OCC=C(C)C)=O)C(OC1=CC=CC(=C1)Cl)=O |