| SpectraBase Compound ID | 6RTzvGS19J7 |
|---|---|
| InChI | InChI=1S/C20H29ClO4/c1-17-10-8-11-18(16-17)25-20(23)13-9-12-19(22)24-15-7-5-3-2-4-6-14-21/h8,10-11,16H,2-7,9,12-15H2,1H3 |
| InChIKey | ZRXKSFGDDRLEJP-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 | DfWfgWGC5H5 |
|---|---|
| Name | Glutaric acid, 8-chlorooctyl 3-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/c1-17-10-8-11-18(16-17)25-20(23)13-9-12-19(22)24-15-7-5-3-2-4-6-14-21/h8,10-11,16H,2-7,9,12-15H2,1H3 |
| InChIKey | ZRXKSFGDDRLEJP-UHFFFAOYSA-N |
| Molecular Weight | 368.901 g/mol |
| SMILES | C(CCC(OCCCCCCCCCl)=O)C(OC=1C=CC=C(C)C1)=O |