SpectraBase Compound ID | g3n1vBbWQr |
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InChI | InChI=1S/C19H27ClO4/c1-3-4-5-6-7-8-13-23-18(21)16-9-11-17(12-10-16)19(22)24-14-15(2)20/h9-12,15H,3-8,13-14H2,1-2H3 |
InChIKey | XWNHHXTXZUNDBD-UHFFFAOYSA-N |
Mol Weight | 354.87 g/mol |
Molecular Formula | C19H27ClO4 |
Exact Mass | 354.159787 g/mol |
SpectraBase Spectrum ID | Jv0Wm24YS8E |
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Name | Terephthalic acid, 2-chloropropyl octyl 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/c1-3-4-5-6-7-8-13-23-18(21)16-9-11-17(12-10-16)19(22)24-14-15(2)20/h9-12,15H,3-8,13-14H2,1-2H3 |
InChIKey | XWNHHXTXZUNDBD-UHFFFAOYSA-N |
Molecular Weight | 354.874 g/mol |
SMILES | C1=C(C=CC(=C1)C(OCC(C)Cl)=O)C(OCCCCCCCC)=O |