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1H-Benzo[f]chromene-2-carbonitrile, 3-amino-5-hydroxy-1-(3-pyridyl)-
SpectraBase Compound ID C6vBqQfVluV
InChI InChI=1S/C19H13N3O2/c20-9-14-16(12-5-3-7-22-10-12)17-13-6-2-1-4-11(13)8-15(23)18(17)24-19(14)21/h1-8,10,16,23H,21H2
InChIKey WMTIHZAYFCKGMK-UHFFFAOYSA-N
Mol Weight 315.33 g/mol
Molecular Formula C19H13N3O2
Exact Mass 315.100777 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID C2yZsuRlxJN
Name 1H-Benzo[F]chromene-2-carbonitrile, 3-amino-5-hydroxy-1-(3-pyridyl)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 315.100776669 u
Formula C19H13N3O2
InChI InChI=1S/C19H13N3O2/c20-9-14-16(12-5-3-7-22-10-12)17-13-6-2-1-4-11(13)8-15(23)18(17)24-19(14)21/h1-8,10,16,23H,21H2
InChIKey WMTIHZAYFCKGMK-UHFFFAOYSA-N
Molecular Weight 315.332 g/mol
SMILES C1(=C(OC2=C(C1C1=CN=CC=C1)C=1C(C=C2O)=CC=CC1)N)C#N
Spectrum/Structure Validation Score (Vapor Phase IR) 0.911434