| SpectraBase Spectrum ID |
Kqr8Gn0rl1F |
| Name |
Ethyl 4-{5-[(3-bromophenoxy)methyl]-2-furyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
513.115086001 u |
| Formula |
C26H28BrNO5 |
| InChI |
InChI=1S/C26H28BrNO5/c1-5-31-25(30)22-15(2)28-19-12-26(3,4)13-20(29)23(19)24(22)21-10-9-18(33-21)14-32-17-8-6-7-16(27)11-17/h6-11,24,28H,5,12-14H2,1-4H3 |
| InChIKey |
HDDAEBOGIAPKSO-UHFFFAOYSA-N |
| Molecular Weight |
514.416 g/mol |
| SMILES |
N1C(=C(C(C=2C(CC(CC12)(C)C)=O)C=1OC(COC=2C=C(Br)C=CC2)=CC1)C(=O)OCC)C |
![Ethyl 4-{5-[(3-bromophenoxy)methyl]-2-furyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate](/api/spectrum/Kqr8Gn0rl1F/structure.png?h=300&w=458 "Ethyl 4-{5-[(3-bromophenoxy)methyl]-2-furyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate")
