| SpectraBase Spectrum ID |
7UxGUgHWjKm |
| Name |
Diethylmalonic acid, 3-bromobenzyl octyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
440.156222539 u |
| Formula |
C22H33BrO4 |
| InChI |
InChI=1S/C22H33BrO4/c1-4-7-8-9-10-11-15-26-20(24)22(5-2,6-3)21(25)27-17-18-13-12-14-19(23)16-18/h12-14,16H,4-11,15,17H2,1-3H3 |
| InChIKey |
CBVGJPKZAYYBCG-UHFFFAOYSA-N |
| Molecular Weight |
441.406 g/mol |
| SMILES |
C(C(C(OCCCCCCCC)=O)(C(OCC1=CC(=CC=C1)Br)=O)CC)C |
