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1-Benzyl-3-methoxycarbonylmethyltetrahydroimidazol-2-thione
SpectraBase Compound ID 5kP3HClsdRE
InChI InChI=1S/C13H16N2O2S/c1-17-12(16)10-15-8-7-14(13(15)18)9-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3
InChIKey VWJAAIMXYAWIAS-UHFFFAOYSA-N
Mol Weight 264.34 g/mol
Molecular Formula C13H16N2O2S
Exact Mass 264.093249 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2YXCV88bDmt
Name 1-Benzyl-3-methoxycarbonylmethyltetrahydroimidazol-2-thione
Appearance Yellow gum
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Exact Mass 264.093248935 u
Formula C13H16N2O2S
InChI InChI=1S/C13H16N2O2S/c1-17-12(16)10-15-8-7-14(13(15)18)9-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3
InChIKey VWJAAIMXYAWIAS-UHFFFAOYSA-N
Instrument Name VG Micromass VG-250
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0003.614
Molecular Weight 264.343 g/mol
Quality 285
SMILES C1(=CC=CC=C1)CN1C(N(CC1)CC(=O)OC)=S
SPLASH splash10-0006-9130000000-5ca11d019897ea3b85a1
Source of Spectrum ARK-2002-160-11b (DOI: 10.3998/ark.5550190.0003.614)
Wiley ID 1904726