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2-Amino-3'-(morpholino)methyl-4'-hydroxyisoflavone

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

2-Amino-3'-(morpholino)methyl-4'-hydroxyisoflavone
SpectraBase Compound ID BzRpFkzEFcy
InChI InChI=1S/C20H20N2O4/c21-20-18(19(24)15-3-1-2-4-17(15)26-20)13-5-6-16(23)14(11-13)12-22-7-9-25-10-8-22/h1-6,11,23H,7-10,12,21H2
InChIKey JXVYKSOKJCIXCA-UHFFFAOYSA-N
Mol Weight 352.39 g/mol
Molecular Formula C20H20N2O4
Exact Mass 352.142307 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID StCMnyx3wW
Name 2-Amino-3'-(morpholino)methyl-4'-hydroxyisoflavone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 352.142307128 u
Formula C20H20N2O4
InChI InChI=1S/C20H20N2O4/c21-20-18(19(24)15-3-1-2-4-17(15)26-20)13-5-6-16(23)14(11-13)12-22-7-9-25-10-8-22/h1-6,11,23H,7-10,12,21H2
InChIKey JXVYKSOKJCIXCA-UHFFFAOYSA-N
Molecular Weight 352.390 g/mol
SMILES C1(=C(OC2=C(C1=O)C=CC=C2)N)C=1C=C(CN2CCOCC2)C(=CC1)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.908785