SpectraBase Spectrum ID |
5It8AQX845W |
Name |
4-Bromo-2-(2-naphthyl)-1,3-indandione |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
349.994242592 u |
Formula |
C19H11BrO2 |
InChI |
InChI=1S/C19H11BrO2/c20-15-7-3-6-14-17(15)19(22)16(18(14)21)13-9-8-11-4-1-2-5-12(11)10-13/h1-10,16H |
InChIKey |
KDRNBAMZDUNXHM-UHFFFAOYSA-N |
Molecular Weight |
351.199 g/mol |
SMILES |
C=12C(=CC=CC1C(C(C2=O)C=1C=C2C=CC=CC2=CC1)=O)Br |
Spectrum/Structure Validation Score (Raman) |
0.95838 |