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3-CYCLOHEXYLCARBONYL-5-(2-AMINO-5-METHOXYPHENYL)-2,2-DIMETHYL-2,3-DIHYDRO-1,3,4-THIADIAZOLE
SpectraBase Compound ID 1VvGCU74FHE
InChI InChI=1S/C18H25N3O2S/c1-18(2)21(17(22)12-7-5-4-6-8-12)20-16(24-18)14-11-13(23-3)9-10-15(14)19/h9-12H,4-8,19H2,1-3H3
InChIKey SJXRBRBLZIUUTJ-UHFFFAOYSA-N
Mol Weight 347.48 g/mol
Molecular Formula C18H25N3O2S
Exact Mass 347.166748 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2qeL0AUkr9r
Name 3-CYCLOHEXYLCARBONYL-5-(2-AMINO-5-METHOXYPHENYL)-2,2-DIMETHYL-2,3-DIHYDRO-1,3,4-THIADIAZOLE
Compound Number 37
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H25N3O2S
InChI InChI=1S/C18H25N3O2S/c1-18(2)21(17(22)12-7-5-4-6-8-12)20-16(24-18)14-11-13(23-3)9-10-15(14)19/h9-12H,4-8,19H2,1-3H3
InChIKey SJXRBRBLZIUUTJ-UHFFFAOYSA-N
Literature Reference Author M.D.CARRION,L.C.LOPEZ-CARA,M.CHAYAH,D.CHOQUESILLO-LAZARTE,M. A.GALLO,A.ESPINOSA,A
Literature Reference Citation MAGN.RES.CHEM.,50,515(2012)
Literature Reference DOI 10.1002/mrc.3830
Molecular Weight 347.475 g/mol
Solvent CDCl3
Source File Reference UWBT16275