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3-(4-bromophenyl)-1-[(2S,4R,6S)-2,6-dimethyl-1,3-dioxan-4-yl]thiourea

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3-(4-bromophenyl)-1-[(2S,4R,6S)-2,6-dimethyl-1,3-dioxan-4-yl]thiourea
SpectraBase Compound ID F2dlfbB7ZjN
InChI InChI=1S/C13H17BrN2O2S/c1-8-7-12(18-9(2)17-8)16-13(19)15-11-5-3-10(14)4-6-11/h3-6,8-9,12H,7H2,1-2H3,(H2,15,16,19)/t8-,9-,12+/m0/s1
InChIKey PVCJCUQGVVQWLD-HOTUBEGUSA-N
Mol Weight 345.26 g/mol
Molecular Formula C13H17BrN2O2S
Exact Mass 344.019412 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID btJZiudcr8
Name 3-(4-bromophenyl)-1-[(2S,4R,6S)-2,6-dimethyl-1,3-dioxan-4-yl]thiourea
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H17BrN2O2S
InChI InChI=1S/C13H17BrN2O2S/c1-8-7-12(18-9(2)17-8)16-13(19)15-11-5-3-10(14)4-6-11/h3-6,8-9,12H,7H2,1-2H3,(H2,15,16,19)/t8-,9-,12+/m0/s1
InChIKey PVCJCUQGVVQWLD-HOTUBEGUSA-N
Literature Reference Author ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ
Literature Reference Citation UNI_MAINZ,INTERNAL_DB(2010)
Molecular Weight 345.254 g/mol
Source File Reference MHKO26697