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(1'R*,2'R*,2''S*)-[2'-(3''-BROMO-2''-HYDROXYPROPYL)-2'-METHYLCYCLOHEXYL]-PROPANEDINITRILE
SpectraBase Compound ID DCWszNUPhvW
InChI InChI=1S/C13H19BrN2O/c1-13(6-11(17)7-14)5-3-2-4-12(13)10(8-15)9-16/h10-12,17H,2-7H2,1H3/t11-,12+,13+/m0/s1
InChIKey XURXDDWBMNCQLF-YNEHKIRRSA-N
Mol Weight 299.21 g/mol
Molecular Formula C13H19BrN2O
Exact Mass 298.068076 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HMVkjS0ncOI
Name (1'R*,2'R*,2''S*)-[2'-(3''-BROMO-2''-HYDROXYPROPYL)-2'-METHYLCYCLOHEXYL]-PROPANEDINITRILE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H19BrN2O
InChI InChI=1S/C13H19BrN2O/c1-13(6-11(17)7-14)5-3-2-4-12(13)10(8-15)9-16/h10-12,17H,2-7H2,1H3/t11-,12+,13+/m0/s1
InChIKey XURXDDWBMNCQLF-YNEHKIRRSA-N
Literature Reference Author J.K.MACLEOD,T.F.MOLINSKI
Literature Reference Citation AUSTR.J.CHEM.,43,1309(1990)
Literature Reference DOI 10.1071/CH9901309
Molecular Weight 299.211 g/mol
Solvent Unknown
Source File Reference UWED8241