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5-Fluoro-4-heptyloxy-2-propylthioaniline
SpectraBase Compound ID HlY3kS09ARj
InChI InChI=1S/C16H26FNOS/c1-3-5-6-7-8-9-19-15-12-16(20-10-4-2)14(18)11-13(15)17/h11-12H,3-10,18H2,1-2H3
InChIKey AGNPIEHFIANMAA-UHFFFAOYSA-N
Mol Weight 299.45 g/mol
Molecular Formula C16H26FNOS
Exact Mass 299.171914 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ff4ShzF6yU7
Name 5-Fluoro-4-heptyloxy-2-propylthioaniline
Comments Less than 3 mono-isotopic peaks
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Formula C16H26FNOS
InChI InChI=1S/C16H26FNOS/c1-3-5-6-7-8-9-19-15-12-16(20-10-4-2)14(18)11-13(15)17/h11-12H,3-10,18H2,1-2H3
InChIKey AGNPIEHFIANMAA-UHFFFAOYSA-N
Molecular Weight 299.448 g/mol
SMILES Nc1c(SCCC)cc(c(c1)F)OCCCCCCC
SPLASH splash10-0a4i-0941000000-ef3efde1d84becd83dc5
Source of Spectrum KC-61-2330-1
Synonyms 5-fluoro-4-(heptyloxy)-2-(propylsulfanyl)aniline 5-fluoro-4-(heptyloxy)-2-(propylsulfanyl)phenylamine
Wiley ID 1628123