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Nonyl {[6-amino-3,5-dicyano-4-(4-hydroxyphenyl)-2-pyridinyl]sulfanyl}acetate
SpectraBase Compound ID DRUIpjTC23M
InChI InChI=1S/C24H28N4O3S/c1-2-3-4-5-6-7-8-13-31-21(30)16-32-24-20(15-26)22(19(14-25)23(27)28-24)17-9-11-18(29)12-10-17/h9-12,29H,2-8,13,16H2,1H3,(H2,27,28)
InChIKey HDKQIZLFASSIKX-UHFFFAOYSA-N
Mol Weight 452.57 g/mol
Molecular Formula C24H28N4O3S
Exact Mass 452.188212 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 11ZHYtfrdI
Name Nonyl {[6-amino-3,5-dicyano-4-(4-hydroxyphenyl)-2-pyridinyl]sulfanyl}acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H28N4O3S
InChI InChI=1S/C24H28N4O3S/c1-2-3-4-5-6-7-8-13-31-21(30)16-32-24-20(15-26)22(19(14-25)23(27)28-24)17-9-11-18(29)12-10-17/h9-12,29H,2-8,13,16H2,1H3,(H2,27,28)
InChIKey HDKQIZLFASSIKX-UHFFFAOYSA-N
Molecular Weight 452.573 g/mol
SMILES Oc1ccc(-c2c(c(nc(c2C#N)SCC(=O)OCCCCCCCCC)N)C#N)cc1
SPLASH splash10-0f7o-9171300000-b30e8543813598408971
Synonyms [6-Amino-3,5-dicyano-4-(4-hydroxy-phenyl)-pyridin-2-ylsulfanyl]-acetic acid nonyl ester
Wiley ID 1455249