| SpectraBase Compound ID | 8Me3EEdE1Dq |
|---|---|
| InChI | InChI=1S/C17H13Cl3O4/c1-2-7-23-16(21)10-5-3-4-6-11(10)17(22)24-15-9-13(19)12(18)8-14(15)20/h3-6,8-9H,2,7H2,1H3 |
| InChIKey | SJBFXCPXBCYNLY-UHFFFAOYSA-N |
| Mol Weight | 387.65 g/mol |
| Molecular Formula | C17H13Cl3O4 |
| Exact Mass | 385.987942 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IUqSdIGu9rD |
|---|---|
| Name | Phthalic acid, propyl 2,4,5-trichlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 385.987941995 u |
| Formula | C17H13Cl3O4 |
| InChI | InChI=1S/C17H13Cl3O4/c1-2-7-23-16(21)10-5-3-4-6-11(10)17(22)24-15-9-13(19)12(18)8-14(15)20/h3-6,8-9H,2,7H2,1H3 |
| InChIKey | SJBFXCPXBCYNLY-UHFFFAOYSA-N |
| Molecular Weight | 387.646 g/mol |
| SMILES | C1(=CC=CC=C1C(OCCC)=O)C(OC1=C(C=C(C(=C1)Cl)Cl)Cl)=O |