| SpectraBase Compound ID | 2m1nLnCTt4t |
|---|---|
| InChI | InChI=1S/C20H29ClO4/c1-2-3-4-5-6-9-15-24-19(22)12-13-20(23)25-16-14-17-10-7-8-11-18(17)21/h7-8,10-11H,2-6,9,12-16H2,1H3 |
| InChIKey | ZRLDAFUOSWIVGH-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 | 7aH4ad7xvbK |
|---|---|
| Name | Succinic acid, 2-chlorophenethyl octyl 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/c1-2-3-4-5-6-9-15-24-19(22)12-13-20(23)25-16-14-17-10-7-8-11-18(17)21/h7-8,10-11H,2-6,9,12-16H2,1H3 |
| InChIKey | ZRLDAFUOSWIVGH-UHFFFAOYSA-N |
| Molecular Weight | 368.901 g/mol |
| SMILES | C(CCC(OCCC1=C(C=CC=C1)Cl)=O)(OCCCCCCCC)=O |