| SpectraBase Compound ID | GSQp8M359jo |
|---|---|
| InChI | InChI=1S/C17H21ClO4/c1-3-4-5-6-11-21-16(19)9-10-17(20)22-14-7-8-15(18)13(2)12-14/h3,7-8,12H,1,4-6,9-11H2,2H3 |
| InChIKey | UPDFPDFCLIGDGL-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 | 5c71nGucEgj |
|---|---|
| Name | Succinic acid, 4-chloro-3-methylphenyl hex-5-en-1-yl 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/c1-3-4-5-6-11-21-16(19)9-10-17(20)22-14-7-8-15(18)13(2)12-14/h3,7-8,12H,1,4-6,9-11H2,2H3 |
| InChIKey | UPDFPDFCLIGDGL-UHFFFAOYSA-N |
| Molecular Weight | 324.804 g/mol |
| SMILES | C(CC(OC1=CC(C)=C(C=C1)Cl)=O)C(OCCCCC=C)=O |