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5-Hexen-2-ol, 1-[(2-aminophenyl)thio]-
SpectraBase Compound ID LkNBgYweo8M
InChI InChI=1S/C12H17NOS/c1-2-3-6-10(14)9-15-12-8-5-4-7-11(12)13/h2,4-5,7-8,10,14H,1,3,6,9,13H2
InChIKey WCPKVTPAVBJQFB-UHFFFAOYSA-N
Mol Weight 223.33 g/mol
Molecular Formula C12H17NOS
Exact Mass 223.103085 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5W81v0YUqM7
Name 5-Hexen-2-ol, 1-[(2-aminophenyl)thio]-
CAS Registry Number 98793-16-9
Comments Less than 3 mono-isotopic peaks
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Formula C12H17NOS
InChI InChI=1S/C12H17NOS/c1-2-3-6-10(14)9-15-12-8-5-4-7-11(12)13/h2,4-5,7-8,10,14H,1,3,6,9,13H2
InChIKey WCPKVTPAVBJQFB-UHFFFAOYSA-N
Molecular Weight 223.334 g/mol
SMILES Nc1c(SCC(O)CCC=C)cccc1
SPLASH splash10-004i-0920000000-aafd6d114f6ce9e6a346
Source of Spectrum KC-1985-1047-13
Synonyms 1-(2'-Aminophenylthio)hex-5-en-2-ol 1-[(2-aminophenyl)sulfanyl]-5-hexen-2-ol
Wiley ID 1223966