| SpectraBase Compound ID | 6FblU5v4xGC |
|---|---|
| InChI | InChI=1S/C18H25ClO4/c1-2-3-4-5-6-9-13-22-17(20)15-10-7-8-11-16(15)18(21)23-14-12-19/h7-8,10-11H,2-6,9,12-14H2,1H3 |
| InChIKey | RUCCKMYGQFBSIU-UHFFFAOYSA-N |
| Mol Weight | 340.85 g/mol |
| Molecular Formula | C18H25ClO4 |
| Exact Mass | 340.144137 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | U019jbABH4 |
|---|---|
| Name | Phthalic acid, 2-chloroethyl octyl 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/c1-2-3-4-5-6-9-13-22-17(20)15-10-7-8-11-16(15)18(21)23-14-12-19/h7-8,10-11H,2-6,9,12-14H2,1H3 |
| InChIKey | RUCCKMYGQFBSIU-UHFFFAOYSA-N |
| Molecular Weight | 340.847 g/mol |
| SMILES | C(CCOC(C1=C(C=CC=C1)C(OCCCl)=O)=O)CCCCC |