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3'-(3-Benzoxy-4-methoxy-phenyl)spiro[chroman-3,2'-oxirane]-4-ol
SpectraBase Compound ID 9TqYZkYNhdt
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
Mol Weight 390.44 g/mol
Molecular Formula C24H22O5
Exact Mass 390.146724 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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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