| SpectraBase Compound ID | L5lMgsRNiNT |
|---|---|
| InChI | InChI=1S/C20H29ClO4/c1-17-11-6-7-12-18(17)25-20(23)14-10-13-19(22)24-16-9-5-3-2-4-8-15-21/h6-7,11-12H,2-5,8-10,13-16H2,1H3 |
| InChIKey | YWTSCUGHWDFDOJ-UHFFFAOYSA-N |
| Mol Weight | 368.9 g/mol |
| Molecular Formula | C20H29ClO4 |
| Exact Mass | 368.175437 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BYNxYI2WV4x |
|---|---|
| Name | Glutaric acid, 8-chlorooctyl 2-methylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 368.175437110 u |
| Formula | C20H29ClO4 |
| InChI | InChI=1S/C20H29ClO4/c1-17-11-6-7-12-18(17)25-20(23)14-10-13-19(22)24-16-9-5-3-2-4-8-15-21/h6-7,11-12H,2-5,8-10,13-16H2,1H3 |
| InChIKey | YWTSCUGHWDFDOJ-UHFFFAOYSA-N |
| Molecular Weight | 368.901 g/mol |
| SMILES | C(CCC(OCCCCCCCCCl)=O)C(OC=1C(C)=CC=CC1)=O |