SpectraBase Spectrum ID |
7U7UI0ppWVK |
Name |
2H-Indol-2-one, 5-bromo-1,3-dihydro-3-hydroxy-3-phenyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
302.989491564 u |
Formula |
C14H10BrNO2 |
InChI |
InChI=1S/C14H10BrNO2/c15-10-6-7-12-11(8-10)14(18,13(17)16-12)9-4-2-1-3-5-9/h1-8,18H,(H,16,17) |
InChIKey |
NAYNCZOJDWVGEP-UHFFFAOYSA-N |
Molecular Weight |
304.143 g/mol |
SMILES |
C1=2C=CC(=CC2C(C(N1)=O)(O)C=1C=CC=CC1)Br |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.928253 |