SpectraBase Spectrum ID |
5WXlldUjb09 |
Name |
3'-[(3-benzyloxy-4-methoxy)phenyl]spiro[2,3-dihydro-4H-1-benzopyran-3,2'-oxiran]-4-one |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
388.131073739 u |
Formula |
C24H20O5 |
InChI |
InChI=1S/C24H20O5/c1-26-20-12-11-17(13-21(20)27-14-16-7-3-2-4-8-16)23-24(29-23)15-28-19-10-6-5-9-18(19)22(24)25/h2-13,23H,14-15H2,1H3 |
InChIKey |
YIVPOYYHNQIXMJ-UHFFFAOYSA-N |
Molecular Weight |
388.419 g/mol |
SMILES |
C12(OC2C=2C=C(OCC=3C=CC=CC3)C(=CC2)OC)C(C2=CC=CC=C2OC1)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.846145 |