6-Amino-8-(3-methoxyphenyl)-2H,8H-[1,3]dioxolo[4,5-G]chromene-7-carbonitrile

SpectraBase Compound ID	6fXw2FPjv7E
InChI	InChI=1S/C18H14N2O4/c1-21-11-4-2-3-10(5-11)17-12-6-15-16(23-9-22-15)7-14(12)24-18(20)13(17)8-19/h2-7,17H,9,20H2,1H3
InChIKey	HLTIWUUAMXMQRC-UHFFFAOYSA-N Google Search
Mol Weight	322.32 g/mol
Molecular Formula	C18H14N2O4
Exact Mass	322.095357 g/mol

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SpectraBase Spectrum ID	EPFWf1IjprO
Name	6-Amino-8-(3-methoxyphenyl)-2H,8H-[1,3]dioxolo[4,5-G]chromene-7-carbonitrile
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	322.095356935 u
Formula	C18H14N2O4
InChI	InChI=1S/C18H14N2O4/c1-21-11-4-2-3-10(5-11)17-12-6-15-16(23-9-22-15)7-14(12)24-18(20)13(17)8-19/h2-7,17H,9,20H2,1H3
InChIKey	HLTIWUUAMXMQRC-UHFFFAOYSA-N
Molecular Weight	322.320 g/mol
SMILES	C1=CC=C(C=C1OC)C1C2=C(OC(=C1C#N)N)C=C1OCOC1=C2
Spectrum/Structure Validation Score (Vapor Phase IR)	0.805567