| SpectraBase Spectrum ID |
1bCVQSiyvz |
| Name |
2-[(4-Bromo-2-fluorophenyl)methyl]-1,3,4-trioxo-1,2,3,4-tetrahydroisoquinoline |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
360.974984314 u |
| Formula |
C16H9BrFNO3 |
| InChI |
InChI=1S/C16H9BrFNO3/c17-10-6-5-9(13(18)7-10)8-19-15(21)12-4-2-1-3-11(12)14(20)16(19)22/h1-7H,8H2 |
| InChIKey |
BAKMSBLJOXSQIQ-UHFFFAOYSA-N |
| Molecular Weight |
362.154 g/mol |
| SMILES |
C1(N(C(C2=C(C1=O)C=CC=C2)=O)CC=1C(=CC(=CC1)Br)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.969482 |
![2-[(4-Bromo-2-fluorophenyl)methyl]-1,3,4-trioxo-1,2,3,4-tetrahydroisoquinoline](/api/spectrum/1bCVQSiyvz/structure.png?h=300&w=458 "2-[(4-Bromo-2-fluorophenyl)methyl]-1,3,4-trioxo-1,2,3,4-tetrahydroisoquinoline")
