SpectraBase Compound ID | BLBssa1SksC |
---|---|
InChI | InChI=1S/C17H23BrO4/c1-13(2)12-22-17(20)5-3-4-16(19)21-11-10-14-6-8-15(18)9-7-14/h6-9,13H,3-5,10-12H2,1-2H3 |
InChIKey | CXRQJFPINBHXQQ-UHFFFAOYSA-N |
Mol Weight | 371.27 g/mol |
Molecular Formula | C17H23BrO4 |
Exact Mass | 370.077972 g/mol |
SpectraBase Spectrum ID | EqBPqIzkyC9 |
---|---|
Name | Glutaric acid, 2-(4-bromophenyl)ethyl isobutyl ester |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 370.077972217 u |
Formula | C17H23BrO4 |
InChI | InChI=1S/C17H23BrO4/c1-13(2)12-22-17(20)5-3-4-16(19)21-11-10-14-6-8-15(18)9-7-14/h6-9,13H,3-5,10-12H2,1-2H3 |
InChIKey | CXRQJFPINBHXQQ-UHFFFAOYSA-N |
Molecular Weight | 371.271 g/mol |
SMILES | C(OCCC1=CC=C(C=C1)Br)(=O)CCCC(OCC(C)C)=O |