| SpectraBase Compound ID | 39MiJRh9q7P |
|---|---|
| InChI | InChI=1S/C20H29ClO4/c1-2-3-15-24-19(22)17-12-8-9-13-18(17)20(23)25-16-11-7-5-4-6-10-14-21/h8-9,12-13H,2-7,10-11,14-16H2,1H3 |
| InChIKey | RPUJFMUHJUTCPN-UHFFFAOYSA-N |
| Mol Weight | 368.9 g/mol |
| Molecular Formula | C20H29ClO4 |
| Exact Mass | 368.175437 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 2334VD7VqnT |
|---|---|
| Name | Phthalic acid, butyl 8-chlorooctyl 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/c1-2-3-15-24-19(22)17-12-8-9-13-18(17)20(23)25-16-11-7-5-4-6-10-14-21/h8-9,12-13H,2-7,10-11,14-16H2,1H3 |
| InChIKey | RPUJFMUHJUTCPN-UHFFFAOYSA-N |
| Molecular Weight | 368.901 g/mol |
| SMILES | C1=CC=CC(=C1C(OCCCC)=O)C(OCCCCCCCCCl)=O |