SpectraBase Spectrum ID |
94riQWD6C7p |
Name |
6-Bromo-3-(4-ethoxyphenylimino)-methyl-1,3-dihydroindol-2-one |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
358.031690729 u |
Formula |
C17H15BrN2O2 |
InChI |
InChI=1S/C17H15BrN2O2/c1-3-22-12-6-4-11(5-7-12)19-16-13-8-10(2)14(18)9-15(13)20-17(16)21/h4-9H,3H2,1-2H3,(H,19,20,21) |
InChIKey |
NLUXVNOLILKVSY-UHFFFAOYSA-N |
Molecular Weight |
359.223 g/mol |
SMILES |
C1(=CC=C(C=C1)OCC)\N=C/1C(NC2=CC(=C(C)C=C12)Br)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.930096 |