SpectraBase Compound ID | Cp6Qjl8m0W3 |
---|---|
InChI | InChI=1S/C20H29BrO4/c1-2-3-4-5-6-7-15-24-19(22)12-13-20(23)25-16-14-17-8-10-18(21)11-9-17/h8-11H,2-7,12-16H2,1H3 |
InChIKey | XRKUXKKLBLTNRJ-UHFFFAOYSA-N |
Mol Weight | 413.35 g/mol |
Molecular Formula | C20H29BrO4 |
Exact Mass | 412.124922 g/mol |
SpectraBase Spectrum ID | 8KpU2e5VBao |
---|---|
Name | Succinic acid, 4-bromophenethyl octyl ester |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 412.124922410 u |
Formula | C20H29BrO4 |
InChI | InChI=1S/C20H29BrO4/c1-2-3-4-5-6-7-15-24-19(22)12-13-20(23)25-16-14-17-8-10-18(21)11-9-17/h8-11H,2-7,12-16H2,1H3 |
InChIKey | XRKUXKKLBLTNRJ-UHFFFAOYSA-N |
Molecular Weight | 413.352 g/mol |
SMILES | C(CCC(OCCC1=CC=C(C=C1)Br)=O)(OCCCCCCCC)=O |