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3-Amino-8-ethoxymethyleneamino-1-(4-methoxyphenyl)-1H-benzo[h]chromene-2-carbonitrile
SpectraBase Compound ID I04SN05k0g6
InChI InChI=1S/C24H21N3O3/c1-3-29-14-27-21-6-4-5-18-17(21)11-12-19-22(15-7-9-16(28-2)10-8-15)20(13-25)24(26)30-23(18)19/h4-12,14,22H,3,26H2,1-2H3/b27-14+
InChIKey CVVSJYIPKSAJEA-MZJWZYIUSA-N
Mol Weight 399.45 g/mol
Molecular Formula C24H21N3O3
Exact Mass 399.158292 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID ILICnCdQas9
Name 3-Amino-8-ethoxymethyleneamino-1-(4-methoxyphenyl)-1H-benzo[H]chromene-2-carbonitrile
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 399.158291545 u
Formula C24H21N3O3
InChI InChI=1S/C24H21N3O3/c1-3-29-14-27-21-6-4-5-18-17(21)11-12-19-22(15-7-9-16(28-2)10-8-15)20(13-25)24(26)30-23(18)19/h4-12,14,22H,3,26H2,1-2H3/b27-14+
InChIKey CVVSJYIPKSAJEA-MZJWZYIUSA-N
Molecular Weight 399.450 g/mol
SMILES C1(=C(OC2=C(C1C1=CC=C(C=C1)OC)C=CC=1C(\N=C\OCC)=CC=CC21)N)C#N
Spectrum/Structure Validation Score (Vapor Phase IR) 0.870863