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2-(1-azepanylthio)-1,3-benzothiazole
SpectraBase Compound ID ISIIapKcYNt
InChI InChI=1S/C13H16N2S2/c1-2-6-10-15(9-5-1)17-13-14-11-7-3-4-8-12(11)16-13/h3-4,7-8H,1-2,5-6,9-10H2
InChIKey RTFZYCYHJXKQHW-UHFFFAOYSA-N
Mol Weight 264.4 g/mol
Molecular Formula C13H16N2S2
Exact Mass 264.075491 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LIwpLpH3ZDa
Name 2-(1-azepanylthio)-1,3-benzothiazole
Alternate Name(s) 2-(azepan-1-ylsulfanyl)-1,3-benzothiazole 2-(azepan-1-ylthio)-1,3-benzothiazole
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Formula C13H16N2S2
InChI InChI=1S/C13H16N2S2/c1-2-6-10-15(9-5-1)17-13-14-11-7-3-4-8-12(11)16-13/h3-4,7-8H,1-2,5-6,9-10H2
InChIKey RTFZYCYHJXKQHW-UHFFFAOYSA-N
Molecular Weight 264.405 g/mol
SMILES c1(nc2ccccc2s1)SN1CCCCCC1
SPLASH splash10-00ke-9400000000-fcc056276bc634b2cf14
Source of Spectrum HC-11-1139-0
Wiley ID 1267700