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6-(Benzylthio)-3-[2'-(N-methyl-N-prop-2''-ynylamino)ethylamino]-1,2,4,5-tetrazine
SpectraBase Compound ID KxHi9Cu4RTJ
InChI InChI=1S/C15H18N6S/c1-3-10-21(2)11-9-16-14-17-19-15(20-18-14)22-12-13-7-5-4-6-8-13/h1,4-8H,9-12H2,2H3,(H,16,17,18)
InChIKey JENIZSROUQKXBU-UHFFFAOYSA-N
Mol Weight 314.41 g/mol
Molecular Formula C15H18N6S
Exact Mass 314.131366 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EeutFcQLVZQ
Name 6-(Benzylthio)-3-[2'-(N-methyl-N-prop-2''-ynylamino)ethylamino]-1,2,4,5-tetrazine
Comments Less than 3 mono-isotopic peaks
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Formula C15H18N6S
InChI InChI=1S/C15H18N6S/c1-3-10-21(2)11-9-16-14-17-19-15(20-18-14)22-12-13-7-5-4-6-8-13/h1,4-8H,9-12H2,2H3,(H,16,17,18)
InChIKey JENIZSROUQKXBU-UHFFFAOYSA-N
Molecular Weight 314.411 g/mol
SMILES N(c1nnc(nn1)SCc1ccccc1)CCN(CC#C)C
SPLASH splash10-001i-9000000000-7c5aa85e95dc32112bd8
Source of Spectrum D8-325-564-3
Synonyms N(1)-[6-(benzylsulfanyl)-1,2,4,5-tetraazin-3-yl]-N(2)-methyl-N(2)-(2-propynyl)-1,2-ethanediamine N-[6-(benzylsulfanyl)-1,2,4,5-tetraazin-3-yl]-N-{2-[methyl(2-propynyl)amino]ethyl}amine
Wiley ID 1514505