SpectraBase Compound ID | ESMdU0KI6QI |
---|---|
InChI | InChI=1S/C18H25ClO4/c1-2-22-17(20)15-11-7-8-12-16(15)18(21)23-14-10-6-4-3-5-9-13-19/h7-8,11-12H,2-6,9-10,13-14H2,1H3 |
InChIKey | IIUACYQXPILQBL-UHFFFAOYSA-N |
Mol Weight | 340.85 g/mol |
Molecular Formula | C18H25ClO4 |
Exact Mass | 340.144137 g/mol |
SpectraBase Spectrum ID | GGIpky1bphq |
---|---|
Name | Phthalic acid, 8-chlorooctyl ethyl ester |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 340.144136981 u |
Formula | C18H25ClO4 |
InChI | InChI=1S/C18H25ClO4/c1-2-22-17(20)15-11-7-8-12-16(15)18(21)23-14-10-6-4-3-5-9-13-19/h7-8,11-12H,2-6,9-10,13-14H2,1H3 |
InChIKey | IIUACYQXPILQBL-UHFFFAOYSA-N |
Molecular Weight | 340.847 g/mol |
SMILES | C1=CC=CC(=C1C(OCC)=O)C(OCCCCCCCCCl)=O |