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6-(1-ACETOXYBUTYL)-1-(TERT.-BUTYLDIMETHYLSILANYLOXY)-2,3,4,7,8,9-HEXAHYDRO-1H-INDENE-9-CARBONITRILE
SpectraBase Compound ID J5lKKD894fu
InChI InChI=1S/3C22H37NO3Si/c3*1-8-9-19(25-16(2)24)17-12-13-22(15-23)18(14-17)10-11-20(22)26-27(6,7)21(3,4)5/h3*14,18-20H,8-13H2,1-7H3/t18-,19?,20?,22+;18-,19?,20+,22-;18-,19?,20-,22-/m011/s1
InChIKey RCWKPJBFJNTFCK-MAIKQXLTSA-N
Mol Weight 1174.9 g/mol
Molecular Formula C66H111N3O9Si3
Exact Mass 1173.762812 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E5u2qag02cj
Name 6-(1-ACETOXYBUTYL)-1-(TERT.-BUTYLDIMETHYLSILANYLOXY)-2,3,4,7,8,9-HEXAHYDRO-1H-INDENE-9-CARBONITRILE
Compound Number 19A,B,C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C66H111N3O9Si3
InChI InChI=1S/3C22H37NO3Si/c3*1-8-9-19(25-16(2)24)17-12-13-22(15-23)18(14-17)10-11-20(22)26-27(6,7)21(3,4)5/h3*14,18-20H,8-13H2,1-7H3/t18-,19?,20?,22+;18-,19?,20+,22-;18-,19?,20-,22-/m011/s1
InChIKey RCWKPJBFJNTFCK-MAIKQXLTSA-N
Literature Reference Author S.MIX,S.BLECHERT
Literature Reference Citation ORG.LETTERS,7,2015(2005)
Literature Reference DOI 10.1021/ol050508c
Molecular Weight 1174.879 g/mol
Sample ID 42826
Solvent CDCl3