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1-METHANOL-ALPHA,4-DIMETHYL-ALPHA-(4-METHYL-4-THIOCYANOPENTANYL)-3-CYCLOHEXENE
SpectraBase Compound ID D8qZsQq8cGa
InChI InChI=1S/C16H27NOS/c1-13-6-8-14(9-7-13)16(4,18)11-5-10-15(2,3)19-12-17/h6,14,18H,5,7-11H2,1-4H3/t14-,16+/m0/s1
InChIKey MVFQVBKISXRDJU-GOEBONIOSA-N
Mol Weight 281.46 g/mol
Molecular Formula C16H27NOS
Exact Mass 281.181336 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HUBBHsKNU7r
Name 1-METHANOL-ALPHA,4-DIMETHYL-ALPHA-(4-METHYL-4-THIOCYANOPENTANYL)-3-CYCLOHEXENE
Compound Number 9A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H27NOS
InChI InChI=1S/C16H27NOS/c1-13-6-8-14(9-7-13)16(4,18)11-5-10-15(2,3)19-12-17/h6,14,18H,5,7-11H2,1-4H3/t14-,16+/m0/s1
InChIKey MVFQVBKISXRDJU-GOEBONIOSA-N
Literature Reference Author C.M.D.OLIVEIRA,C.C.D.SILVA,C.H.COLLINS,A.J.MARSAIOLI
Literature Reference Citation J.BRAZ.CHEM.SOC.,12,661(2001)
Literature Reference DOI 10.1590/s0103-50532001000500009
Molecular Weight 281.456 g/mol
Solvent CDCl3
Source File Reference UWPA1383