SpectraBase Spectrum ID |
Jbzw53n8y3I |
Name |
3-([1-oxo-3,4-Dihydronaphthalen-2-ylidene]methyl)chromen-4-one |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
302.094294308 u |
Formula |
C20H14O3 |
InChI |
InChI=1S/C20H14O3/c21-19-14(10-9-13-5-1-2-6-16(13)19)11-15-12-23-18-8-4-3-7-17(18)20(15)22/h1-8,11-12H,9-10H2/b14-11+ |
InChIKey |
AICKSXIBNCBFQH-SDNWHVSQSA-N |
SMILES |
C1=CC=CC2=C1C(C(\C=C/1CCC=3C=CC=CC3C1=O)=CO2)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.846209 |