| SpectraBase Compound ID | 6zc6w1McW83 |
|---|---|
| InChI | InChI=1S/C19H27ClO4/c1-2-14-23-18(21)16-11-7-8-12-17(16)19(22)24-15-10-6-4-3-5-9-13-20/h7-8,11-12H,2-6,9-10,13-15H2,1H3 |
| InChIKey | VYICFCVUUWAKIC-UHFFFAOYSA-N |
| Mol Weight | 354.87 g/mol |
| Molecular Formula | C19H27ClO4 |
| Exact Mass | 354.159787 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8cw4RTyipiy |
|---|---|
| Name | Phthalic acid, 8-chlorooctyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 354.159787045 u |
| Formula | C19H27ClO4 |
| InChI | InChI=1S/C19H27ClO4/c1-2-14-23-18(21)16-11-7-8-12-17(16)19(22)24-15-10-6-4-3-5-9-13-20/h7-8,11-12H,2-6,9-10,13-15H2,1H3 |
| InChIKey | VYICFCVUUWAKIC-UHFFFAOYSA-N |
| Molecular Weight | 354.874 g/mol |
| SMILES | C1=CC=CC(=C1C(OCCC)=O)C(OCCCCCCCCCl)=O |