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1-[(1R*,8R*,Z)-8-(Methylthio)cyclooct-4-en-1-yl)]-4-phenyl-1H-1,2,3-triazole
SpectraBase Compound ID 3oTPlkGkxd4
InChI InChI=1S/C17H21N3S/c1-21-17-12-8-3-2-7-11-16(17)20-13-15(18-19-20)14-9-5-4-6-10-14/h2-6,9-10,13,16-17H,7-8,11-12H2,1H3/b3-2-/t16-,17-/m1/s1
InChIKey RWGYNHKRLMLPHM-KWWITBOBSA-N
Mol Weight 299.44 g/mol
Molecular Formula C17H21N3S
Exact Mass 299.145619 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J4dqNW9JxMk
Name 1-[(1R*,8R*,Z)-8-(Methylthio)cyclooct-4-en-1-yl)]-4-phenyl-1H-1,2,3-triazole
Alternate Name(s) 1-((1R,8R,Z)-8-(methylthio)cyclooct-4-en-1-yl)-4-phenyl-1H-1,2,3-triazole 1-[(1R,4Z,8R)-8-(methylthio)-1-cyclooct-4-enyl]-4-phenyltriazole 1-[(1R,4Z,8R)-8-methylsulfanylcyclooct-4-en-1-yl]-4-phenyltriazole 1-[(1R,4Z,8R)-8-methylsulfanylcyclooct-4-en-1-yl]-4-phenyl-triazole 1-[(1R,4Z,8R)-8-methylsulfanylcyclooct-4-en-1-yl]-4-phenyl-1,2,3-triazole
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Formula C17H21N3S
InChI InChI=1S/C17H21N3S/c1-21-17-12-8-3-2-7-11-16(17)20-13-15(18-19-20)14-9-5-4-6-10-14/h2-6,9-10,13,16-17H,7-8,11-12H2,1H3/b3-2-/t16-,17-/m1/s1
InChIKey RWGYNHKRLMLPHM-KWWITBOBSA-N
Literature Reference DOI 10.1021/jo400110m
Molecular Weight 299.436 g/mol
SMILES C1\C=C/CC[C@@]([n]2nnc(c2)-c2ccccc2)([C@@](C1)(SC)[H])[H]
SPLASH splash10-0fvi-9740000000-5c157995e6c0087cdcd2
Source of Spectrum J-78-5035-3ba
Wiley ID 1745439