| SpectraBase Compound ID | FtXkRfphM5a |
|---|---|
| InChI | InChI=1S/C17H21ClO4/c1-2-3-4-5-12-21-16(19)10-7-11-17(20)22-15-9-6-8-14(18)13-15/h4-6,8-9,13H,2-3,7,10-12H2,1H3/b5-4+ |
| InChIKey | XAJIUAJNVQFKMX-SNAWJCMRSA-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 | 4WEhETI2TUQ |
|---|---|
| Name | Glutaric acid, hex-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 | 324.112836852 u |
| Formula | C17H21ClO4 |
| InChI | InChI=1S/C17H21ClO4/c1-2-3-4-5-12-21-16(19)10-7-11-17(20)22-15-9-6-8-14(18)13-15/h4-6,8-9,13H,2-3,7,10-12H2,1H3/b5-4+ |
| InChIKey | XAJIUAJNVQFKMX-SNAWJCMRSA-N |
| Molecular Weight | 324.804 g/mol |
| SMILES | C(CCC(OC1=CC(=CC=C1)Cl)=O)C(OC\C=C\CCC)=O |