| SpectraBase Compound ID | 8uw9uGbn8b4 |
|---|---|
| InChI | InChI=1S/C20H29ClO4/c1-16(2)15-25-20(23)18-12-8-7-11-17(18)19(22)24-14-10-6-4-3-5-9-13-21/h7-8,11-12,16H,3-6,9-10,13-15H2,1-2H3 |
| InChIKey | OGEQFNNCHBTSMF-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 | A30M1hBdPiK |
|---|---|
| Name | Phthalic acid, 8-chlorooctyl isobutyl 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/c1-16(2)15-25-20(23)18-12-8-7-11-17(18)19(22)24-14-10-6-4-3-5-9-13-21/h7-8,11-12,16H,3-6,9-10,13-15H2,1-2H3 |
| InChIKey | OGEQFNNCHBTSMF-UHFFFAOYSA-N |
| Molecular Weight | 368.901 g/mol |
| SMILES | C1=CC=CC(=C1C(OCC(C)C)=O)C(OCCCCCCCCCl)=O |