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2-Amino-4-(4-chlorophenyl)-6-hexyl-7-hydroxy-4H-1-benzopyran-3-carbonitrile
SpectraBase Compound ID Igu0dq9LXuH
InChI InChI=1S/C22H23ClN2O2/c1-2-3-4-5-6-15-11-17-20(12-19(15)26)27-22(25)18(13-24)21(17)14-7-9-16(23)10-8-14/h7-12,21,26H,2-6,25H2,1H3
InChIKey XPTGQXSDEUJXAL-UHFFFAOYSA-N
Mol Weight 382.89 g/mol
Molecular Formula C22H23ClN2O2
Exact Mass 382.144806 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4cpisblIEas
Name 2-Amino-4-(4-chlorophenyl)-6-hexyl-7-hydroxy-4H-1-benzopyran-3-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H23ClN2O2
InChI InChI=1S/C22H23ClN2O2/c1-2-3-4-5-6-15-11-17-20(12-19(15)26)27-22(25)18(13-24)21(17)14-7-9-16(23)10-8-14/h7-12,21,26H,2-6,25H2,1H3
InChIKey XPTGQXSDEUJXAL-UHFFFAOYSA-N
Molecular Weight 382.891 g/mol
SMILES Oc1c(cc2C(C(=C(Oc2c1)N)C#N)c1ccc(cc1)Cl)CCCCCC
SPLASH splash10-00di-1091000000-a37b0aa0285d62cf35b5
Source of Spectrum O1-63-1805-16
Synonyms 2-Amino-4-(4-chlorophenyl)-6-hexyl-7-hydroxy-4H-chromene-3-carbonitrile 2-Azanyl-4-(4-chlorophenyl)-6-hexyl-7-oxidanyl-4H-chromene-3-carbonitrile
Wiley ID 1592770