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3-Tert-butoxy-5α-cholest-3-ene-5-carbonitrile

View entire compound with spectra: 1 NMR, and 1 FTIR

3-Tert-butoxy-5α-cholest-3-ene-5-carbonitrile
SpectraBase Compound ID 5sOkj0MXd33
InChI InChI=1S/C32H53NO/c1-22(2)10-9-11-23(3)26-12-13-27-25-15-19-32(21-33)20-24(34-29(4,5)6)14-18-31(32,8)28(25)16-17-30(26,27)7/h20,22-23,25-28H,9-19H2,1-8H3/t23-,25+,26-,27+,28+,30-,31-,32+/m1/s1
InChIKey KUGKBFGDYOPFFT-ZVCWYQFISA-N
Mol Weight 467.8 g/mol
Molecular Formula C32H53NO
Exact Mass 467.412715 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 6Ysc3dj9IZt
Name 3-Tert-butoxy-cholest-3-ene-5-carbonitrile
Source of Sample B. Zeeh, University of Tuebingen, Tuebingen, Germany
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H53NO
InChI InChI=1S/C32H53NO/c1-22(2)10-9-11-23(3)26-12-13-27-25-15-19-32(21-33)20-24(34-29(4,5)6)14-18-31(32,8)28(25)16-17-30(26,27)7/h20,22-23,25-28H,9-19H2,1-8H3/t23-,25+,26-,27+,28+,30-,31-,32+/m1/s1
InChIKey KUGKBFGDYOPFFT-ZVCWYQFISA-N
Melting Point 150-151C
Molecular Weight 467.778920
Synonyms CHOLEST-3-ENE-5-CARBONITRILE, 3- TERT-BUTOXY-,
Technique FILM (CAST FROM CHCl3)