2-Amino-6-chloro-4-(4-hydroxyphenyl)-4H-benzo[h]chromene-3-carbonitrile

SpectraBase Compound ID	HlT0XtQYH44
InChI	InChI=1S/C20H13ClN2O2/c21-17-9-15-18(11-5-7-12(24)8-6-11)16(10-22)20(23)25-19(15)14-4-2-1-3-13(14)17/h1-9,18,24H,23H2
InChIKey	LAKHAHLNMUQTRP-UHFFFAOYSA-N Google Search
Mol Weight	348.79 g/mol
Molecular Formula	C20H13ClN2O2
Exact Mass	348.066555 g/mol

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SpectraBase Spectrum ID	BSW898846pe
Name	2-Amino-6-chloro-4-(4-hydroxyphenyl)-4H-benzo[H]chromene-3-carbonitrile
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	348.066555365 u
Formula	C20H13ClN2O2
InChI	InChI=1S/C20H13ClN2O2/c21-17-9-15-18(11-5-7-12(24)8-6-11)16(10-22)20(23)25-19(15)14-4-2-1-3-13(14)17/h1-9,18,24H,23H2
InChIKey	LAKHAHLNMUQTRP-UHFFFAOYSA-N
Molecular Weight	348.789 g/mol
SMILES	C1(=C(OC2=C(C1C1=CC=C(C=C1)O)C=C(C1=CC=CC=C21)Cl)N)C#N
Spectrum/Structure Validation Score (Vapor Phase IR)	0.877685