SpectraBase Spectrum ID |
4B8Mqj4veam |
Name |
3-[4'-(4'',4'''-biphenyl)-1',3'-oxazolidin-2'-ylidene]-2-coumaranone |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
355.120843408 u |
Formula |
C23H17NO3 |
InChI |
InChI=1S/C23H17NO3/c25-23-21(18-8-4-5-9-19(18)27-23)22-24-14-20(26-22)17-12-10-16(11-13-17)15-6-2-1-3-7-15/h1-13,20,24H,14H2/b22-21+ |
InChIKey |
FFCZVXKORVUXOM-QURGRASLSA-N |
Molecular Weight |
355.393 g/mol |
SMILES |
C1(O\C(=C\2C(OC=3C2=CC=CC3)=O)NC1)C1=CC=C(C=C1)C1=CC=CC=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.921478 |