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O-[(S)-1,2-Dimethyl-3-(pyridin-3-yl)propyl]Imidazole-1-carbothioate
SpectraBase Compound ID Bhsu5CqIO5
InChI InChI=1S/C14H17N3OS/c1-11(8-13-4-3-5-15-9-13)12(2)18-14(19)17-7-6-16-10-17/h3-7,9-12H,8H2,1-2H3/t11-,12?/m0/s1
InChIKey LFUXIQMMHGGLBE-PXYINDEMSA-N
Mol Weight 275.37 g/mol
Molecular Formula C14H17N3OS
Exact Mass 275.109233 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FAUyqVlxYnt
Name O-[(S)-1,2-Dimethyl-3-(pyridin-3-yl)propyl]Imidazole-1-carbothioate
Alternate Name(s) 1-imidazolecarbothioic acid O-[(3S)-3-methyl-4-(3-pyridinyl)butan-2-yl] ester O-[(3S)-3-methyl-4-pyridin-3-ylbutan-2-yl] imidazole-1-carbothioate O-[(2S)-1,2-dimethyl-3-(3-pyridyl)propyl] imidazole-1-carbothioate O-[(3S)-3-methyl-4-pyridin-3-yl-butan-2-yl] imidazole-1-carbothioate
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Formula C14H17N3OS
InChI InChI=1S/C14H17N3OS/c1-11(8-13-4-3-5-15-9-13)12(2)18-14(19)17-7-6-16-10-17/h3-7,9-12H,8H2,1-2H3/t11-,12?/m0/s1
InChIKey LFUXIQMMHGGLBE-PXYINDEMSA-N
Molecular Weight 275.370 g/mol
SMILES C([n]1cncc1)(OC([C@](Cc1cnccc1)(C)[H])C)=S
SPLASH splash10-0006-9300000000-3a8e72605ad938e5c00e
Source of Spectrum U1-2011-6036-15
Wiley ID 1688790