| SpectraBase Compound ID | ILz56SlokJS |
|---|---|
| InChI | InChI=1S/C17H21ClO4/c1-12(2)9-10-21-16(19)5-4-6-17(20)22-15-8-7-14(18)11-13(15)3/h7-9,11H,4-6,10H2,1-3H3 |
| InChIKey | MKVNJVMYDAPJLP-UHFFFAOYSA-N |
| Mol Weight | 324.8 g/mol |
| Molecular Formula | C17H21ClO4 |
| Exact Mass | 324.112837 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LLqfMfV5FrQ |
|---|---|
| Name | Glutaric acid, 3-methylbut-2-en-1-yl 2-methyl-4-chlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 324.112836852 u |
| Formula | C17H21ClO4 |
| InChI | InChI=1S/C17H21ClO4/c1-12(2)9-10-21-16(19)5-4-6-17(20)22-15-8-7-14(18)11-13(15)3/h7-9,11H,4-6,10H2,1-3H3 |
| InChIKey | MKVNJVMYDAPJLP-UHFFFAOYSA-N |
| Molecular Weight | 324.804 g/mol |
| SMILES | C(CCC(OCC=C(C)C)=O)C(OC1=CC=C(C=C1C)Cl)=O |