SpectraBase Spectrum ID |
Ejl5EHw2r5s |
Name |
3-Bromo-2-phenylnaphtho[2,1-B]pyran-4-one |
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/c20-17-18(21)16-14-9-5-4-6-12(14)10-11-15(16)22-19(17)13-7-2-1-3-8-13/h1-11H |
InChIKey |
KTKNXCCRQCSKBG-UHFFFAOYSA-N |
Molecular Weight |
351.199 g/mol |
SMILES |
C=1(C(C=2C3=C(C=CC=C3)C=CC2OC1C1=CC=CC=C1)=O)Br |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.940356 |