SpectraBase Compound ID | 2Aisk6CJjE5 |
---|---|
InChI | InChI=1S/C19H27ClO4/c1-2-3-4-5-6-13-23-18(21)10-11-19(22)24-14-12-16-8-7-9-17(20)15-16/h7-9,15H,2-6,10-14H2,1H3 |
InChIKey | OXWKPMFQUFURNJ-UHFFFAOYSA-N |
Mol Weight | 354.87 g/mol |
Molecular Formula | C19H27ClO4 |
Exact Mass | 354.159787 g/mol |
SpectraBase Spectrum ID | FAWBgolroBV |
---|---|
Name | Succinic acid, 3-chlorophenethyl heptyl 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/c1-2-3-4-5-6-13-23-18(21)10-11-19(22)24-14-12-16-8-7-9-17(20)15-16/h7-9,15H,2-6,10-14H2,1H3 |
InChIKey | OXWKPMFQUFURNJ-UHFFFAOYSA-N |
Molecular Weight | 354.874 g/mol |
SMILES | C(CCC(OCCC1=CC(=CC=C1)Cl)=O)(OCCCCCCC)=O |