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6-Methoxy-Calopogonlum - Isoflavone A

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

6-Methoxy-Calopogonlum - Isoflavone A
SpectraBase Compound ID dX4OnKUeIx
InChI InChI=1S/C22H20O5/c1-22(2)10-9-15-20-16(11-18(25-4)21(15)27-22)19(23)17(12-26-20)13-5-7-14(24-3)8-6-13/h5-12H,1-4H3
InChIKey QGVRYCDFFNUEAM-UHFFFAOYSA-N
Mol Weight 364.4 g/mol
Molecular Formula C22H20O5
Exact Mass 364.131074 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9YTMsSeGX4W
Name 6-Methoxycalopogonlum-isoflavone-A
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 364.131073739 u
Formula C22H20O5
InChI InChI=1S/C22H20O5/c1-22(2)10-9-15-20-16(11-18(25-4)21(15)27-22)19(23)17(12-26-20)13-5-7-14(24-3)8-6-13/h5-12H,1-4H3
InChIKey QGVRYCDFFNUEAM-UHFFFAOYSA-N
Molecular Weight 364.397 g/mol
SMILES C=1(OC)C=CC(=CC1)C=1C(=O)C2=CC(OC)=C3OC(C)(C)C=CC3=C2OC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.890606