SpectraBase Compound ID | 9ikgumvLCWk |
---|---|
InChI | InChI=1S/C14H17ClO5/c1-2-3-8-19-13(16)9-18-10-14(17)20-12-6-4-11(15)5-7-12/h4-7H,2-3,8-10H2,1H3 |
InChIKey | FJZDSKIKYXSISH-UHFFFAOYSA-N |
Mol Weight | 300.74 g/mol |
Molecular Formula | C14H17ClO5 |
Exact Mass | 300.076451 g/mol |
SpectraBase Spectrum ID | 5VGDGIwuOxI |
---|---|
Name | Diglycolic acid, butyl 4-chlorophenyl ester |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 300.076451342 u |
Formula | C14H17ClO5 |
InChI | InChI=1S/C14H17ClO5/c1-2-3-8-19-13(16)9-18-10-14(17)20-12-6-4-11(15)5-7-12/h4-7H,2-3,8-10H2,1H3 |
InChIKey | FJZDSKIKYXSISH-UHFFFAOYSA-N |
SMILES | C(COCC(=O)OCCCC)(=O)OC1=CC=C(C=C1)Cl |