| SpectraBase Spectrum ID |
1Z8BU3SCzQ9 |
| Name |
3-[5-(2-Bromo-phenyl)-furan-2-yl]-2-cyano-acrylic acid isopropyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
359.015706312 u |
| Formula |
C17H14BrNO3 |
| InChI |
InChI=1S/C17H14BrNO3/c1-11(2)21-17(20)12(10-19)9-13-7-8-16(22-13)14-5-3-4-6-15(14)18/h3-9,11H,1-2H3/b12-9+ |
| InChIKey |
FASBHTNBNPPAAQ-FMIVXFBMSA-N |
| Molecular Weight |
360.207 g/mol |
| SMILES |
C(\C(=C\C=1OC(C=2C(Br)=CC=CC2)=CC1)C#N)(OC(C)C)=O |
![3-[5-(2-Bromo-phenyl)-furan-2-yl]-2-cyano-acrylic acid isopropyl ester](/api/spectrum/1Z8BU3SCzQ9/structure.png?h=300&w=458 "3-[5-(2-Bromo-phenyl)-furan-2-yl]-2-cyano-acrylic acid isopropyl ester")
