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2-Amino-7-methoxy-4-(4-methoxyphenyl)-4H-chromene-3-carbonitrile
SpectraBase Compound ID 4ak1cm7zTDF
InChI InChI=1S/C18H16N2O3/c1-21-12-5-3-11(4-6-12)17-14-8-7-13(22-2)9-16(14)23-18(20)15(17)10-19/h3-9,17H,20H2,1-2H3
InChIKey WLPWVCJUUAAWQU-UHFFFAOYSA-N
Mol Weight 308.34 g/mol
Molecular Formula C18H16N2O3
Exact Mass 308.116092 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HmhkUefEnDI
Name 2-Amino-7-methoxy-4-(4-methoxyphenyl)-4H-chromene-3-carbonitrile
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 308.116092380 u
Formula C18H16N2O3
InChI InChI=1S/C18H16N2O3/c1-21-12-5-3-11(4-6-12)17-14-8-7-13(22-2)9-16(14)23-18(20)15(17)10-19/h3-9,17H,20H2,1-2H3
InChIKey WLPWVCJUUAAWQU-UHFFFAOYSA-N
Molecular Weight 308.337 g/mol
SMILES C1(=CC=C(C=C1)OC)C1C2=C(OC(=C1C#N)N)C=C(C=C2)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.941556