| SpectraBase Spectrum ID |
7g3vFPbsq6W |
| Name |
Propanoic acid, 2,2-dimethyl-, (2Z)-2-[(2-bromophenyl)methylene]-2,3-dihydro-3-oxobenzofuranyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
400.031022023 u |
| Formula |
C20H17BrO4 |
| InChI |
InChI=1S/C20H17BrO4/c1-20(2,3)19(23)24-13-8-9-14-16(11-13)25-17(18(14)22)10-12-6-4-5-7-15(12)21/h4-11H,1-3H3/b17-10- |
| InChIKey |
GYRDEIHIGPPPIE-YVLHZVERSA-N |
| Molecular Weight |
401.256 g/mol |
| SMILES |
C1(\C(OC2=CC(=CC=C12)OC(C(C)(C)C)=O)=C\C1=C(Br)C=CC=C1)=O |
![propanoic acid, 2,2-dimethyl-, (2Z)-2-[(2-bromophenyl)methylene]-2,3-dihydro-3-oxobenzofuranyl ester](/api/spectrum/7g3vFPbsq6W/structure.png?h=300&w=458 "propanoic acid, 2,2-dimethyl-, (2Z)-2-[(2-bromophenyl)methylene]-2,3-dihydro-3-oxobenzofuranyl ester")
