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2-Amino-4-heptyl-7-hydroxy-4H-chromene-3-carbonitrile

View entire compound with spectra: 1 FTIR

2-Amino-4-heptyl-7-hydroxy-4H-chromene-3-carbonitrile
SpectraBase Compound ID 44eP6ome6iS
InChI InChI=1S/C17H22N2O2/c1-2-3-4-5-6-7-13-14-9-8-12(20)10-16(14)21-17(19)15(13)11-18/h8-10,13,20H,2-7,19H2,1H3
InChIKey VNXSTQCUNXAJPQ-UHFFFAOYSA-N
Mol Weight 286.38 g/mol
Molecular Formula C17H22N2O2
Exact Mass 286.168128 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Ek47QT9rOgX
Name 2-Amino-4-heptyl-7-hydroxy-4H-chromene-3-carbonitrile
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 286.168127954 u
Formula C17H22N2O2
InChI InChI=1S/C17H22N2O2/c1-2-3-4-5-6-7-13-14-9-8-12(20)10-16(14)21-17(19)15(13)11-18/h8-10,13,20H,2-7,19H2,1H3
InChIKey VNXSTQCUNXAJPQ-UHFFFAOYSA-N
SMILES C12=C(C=CC(=C2)O)C(C(=C(O1)N)C#N)CCCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.824761