| SpectraBase Compound ID | EUl05RfHhXZ |
|---|---|
| InChI | InChI=1S/C17H23ClO4/c1-2-3-4-5-8-12-21-16(19)14-9-6-7-10-15(14)17(20)22-13-11-18/h6-7,9-10H,2-5,8,11-13H2,1H3 |
| InChIKey | RKHBWCMWCJMSDX-UHFFFAOYSA-N |
| Mol Weight | 326.82 g/mol |
| Molecular Formula | C17H23ClO4 |
| Exact Mass | 326.128487 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | L3r4lRnMvGl |
|---|---|
| Name | Phthalic acid, 2-chloroethyl heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 326.128486917 u |
| Formula | C17H23ClO4 |
| InChI | InChI=1S/C17H23ClO4/c1-2-3-4-5-8-12-21-16(19)14-9-6-7-10-15(14)17(20)22-13-11-18/h6-7,9-10H,2-5,8,11-13H2,1H3 |
| InChIKey | RKHBWCMWCJMSDX-UHFFFAOYSA-N |
| Molecular Weight | 326.820 g/mol |
| SMILES | C(CCOC(C1=C(C=CC=C1)C(OCCCl)=O)=O)CCCC |