SpectraBase Spectrum ID |
IMSpmBEZ8uY |
Name |
3'-(3-Benzoxy-4-methoxy-phenyl)spiro[chroman-3,2'-oxirane]-4-ol |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
390.146723803 u |
Formula |
C24H22O5 |
InChI |
InChI=1S/C24H22O5/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/h2-13,22-23,25H,14-15H2,1H3 |
InChIKey |
VZBBNYQFKGSWCN-UHFFFAOYSA-N |
Molecular Weight |
390.435 g/mol |
SMILES |
C12(OC2C2=CC(OCC3=CC=CC=C3)=C(C=C2)OC)C(C2=CC=CC=C2OC1)O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.950847 |