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anti-DI-(1-ADAMANTYL)-m-(tert-BUTYL)-PHENYLMETHANE
SpectraBase Compound ID KG18867xN1X
InChI InChI=1S/C31H44/c1-29(2,3)27-6-4-5-26(13-27)28(30-14-20-7-21(15-30)9-22(8-20)16-30)31-17-23-10-24(18-31)12-25(11-23)19-31/h4-6,13,20-25,28H,7-12,14-19H2,1-3H3/t20-,21+,22-,23-,24+,25-,30-,31-
InChIKey VQOCTTAYMHMCNV-QMPFUNKUSA-N
Mol Weight 416.7 g/mol
Molecular Formula C31H44
Exact Mass 416.344301 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8gkPDI4xouu
Name SYN-DI-(1-ADAMANTYL)-m-(tert-BUTYL)-PHENYLMETHANE
Compound Number 7S-H
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C31H44/c1-29(2,3)27-6-4-5-26(13-27)28(30-14-20-7-21(15-30)9-22(8-20)16-30)31-17-23-10-24(18-31)12-25(11-23)19-31/h4-6,13,20-25,28H,7-12,14-19H2,1-3H3/t20-,21+,22-,23-,24+,25-,30-,31-
InChIKey VQOCTTAYMHMCNV-QMPFUNKUSA-N
Literature Reference J.CHEM.SOC.PERKIN-2,459(1994) J.S.LOMAS,V.BRU-CAPDEVILLE
Solvent Chloroform-d
Technique SELECTIVE DECOUPLING; C/H SHIFT CORRELATION