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BIS-[4-(1-ADAMANTYL)-PYRAZOL-1-YL]-ETHANE

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BIS-[4-(1-ADAMANTYL)-PYRAZOL-1-YL]-ETHANE
SpectraBase Compound ID GX5sq4QceOc
InChI InChI=1S/C28H38N4/c1(31-15-25(13-29-31)27-21-5-17-3-18(7-21)8-22(27)6-17)2-32-16-26(14-30-32)28-23-9-19-4-20(11-23)12-24(28)10-19/h13-24,27-28H,1-12H2/t17-,18+,19-,20+,21-,22+,23-,24+,27?,28?
InChIKey OLCKMEFCMAKQJW-IVBNXZBYSA-N
Mol Weight 430.6 g/mol
Molecular Formula C28H38N4
Exact Mass 430.309647 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DM73RpCAPib
Name BIS-[4-(1-ADAMANTYL)-PYRAZOL-1-YL]-ETHANE
Compound Number 3 C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H38N4
InChI InChI=1S/C28H38N4/c1(31-15-25(13-29-31)27-21-5-17-3-18(7-21)8-22(27)6-17)2-32-16-26(14-30-32)28-23-9-19-4-20(11-23)12-24(28)10-19/h13-24,27-28H,1-12H2/t17-,18+,19-,20+,21-,22+,23-,24+,27?,28?
InChIKey OLCKMEFCMAKQJW-IVBNXZBYSA-N
Literature Reference Author P.CABILDO,R.M.CLARAMUNT,P.CORNAGO,J.L.LAVANDERA,D.SANZ,N.JAE ROVIC,M.L.JIMENO,J.E
Literature Reference Citation J.CHEM.SOC.PERKIN-2,701(1996)
Literature Reference DOI 10.1039/p29960000701
Molecular Weight 430.637 g/mol
Solvent DMSO-D6
Source File Reference UWCS21394