| SpectraBase Compound ID | IUHcI2rDRZd |
|---|---|
| InChI | InChI=1S/C19H27ClO4/c1-2-3-4-5-13-23-18(21)10-7-11-19(22)24-14-12-16-8-6-9-17(20)15-16/h6,8-9,15H,2-5,7,10-14H2,1H3 |
| InChIKey | VPZVTKLPZMBJRL-UHFFFAOYSA-N |
| Mol Weight | 354.87 g/mol |
| Molecular Formula | C19H27ClO4 |
| Exact Mass | 354.159787 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ast833gsR0x |
|---|---|
| Name | Glutaric acid, 2-(3-chlorophenyl)ethyl hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 354.159787045 u |
| Formula | C19H27ClO4 |
| InChI | InChI=1S/C19H27ClO4/c1-2-3-4-5-13-23-18(21)10-7-11-19(22)24-14-12-16-8-6-9-17(20)15-16/h6,8-9,15H,2-5,7,10-14H2,1H3 |
| InChIKey | VPZVTKLPZMBJRL-UHFFFAOYSA-N |
| Molecular Weight | 354.874 g/mol |
| SMILES | C(OCCC1=CC(=CC=C1)Cl)(=O)CCCC(OCCCCCC)=O |