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2-(Benzylamino)-5-heptyl-1,3,4-thiadiazole
SpectraBase Compound ID LUclnJHS8KY
InChI InChI=1S/C16H23N3S/c1-2-3-4-5-9-12-15-18-19-16(20-15)17-13-14-10-7-6-8-11-14/h6-8,10-11H,2-5,9,12-13H2,1H3,(H,17,19)
InChIKey SLSPPGPPOYNKIO-UHFFFAOYSA-N
Mol Weight 289.44 g/mol
Molecular Formula C16H23N3S
Exact Mass 289.161269 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4JpbI84xycI
Name 2-(Benzylamino)-5-heptyl-1,3,4-thiadiazole
Alternate Name(s) N-benzyl-5-heptyl-1,3,4-thiadiazol-2-amine N-benzyl-N-(5-heptyl-1,3,4-thiadiazol-2-yl)amine
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Formula C16H23N3S
InChI InChI=1S/C16H23N3S/c1-2-3-4-5-9-12-15-18-19-16(20-15)17-13-14-10-7-6-8-11-14/h6-8,10-11H,2-5,9,12-13H2,1H3,(H,17,19)
InChIKey SLSPPGPPOYNKIO-UHFFFAOYSA-N
Molecular Weight 289.441 g/mol
SMILES N(c1sc(nn1)CCCCCCC)Cc1ccccc1
SPLASH splash10-0006-9060000000-78901278b1bc3ad99735
Source of Spectrum Y1-33-586-12
Wiley ID 1526265