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tert-butyl N-[(1S)-1-[(2S)-2-triisopropylsilyloxybut-3-ynyl]hept-5-ynyl]carbamate
SpectraBase Compound ID BEzK29DvOlr
InChI InChI=1S/C25H45NO3Si/c1-12-14-15-16-17-22(26-24(27)28-25(9,10)11)18-23(13-2)29-30(19(3)4,20(5)6)21(7)8/h2,19-23H,15-18H2,1,3-11H3,(H,26,27)/t22-,23+/m0/s1
InChIKey CUAQGGNBDIENQB-XZOQPEGZSA-N
Mol Weight 435.7 g/mol
Molecular Formula C25H45NO3Si
Exact Mass 435.316871 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2msw00hxasR
Name tert-butyl N-[(1S)-1-[(2S)-2-triisopropylsilyloxybut-3-ynyl]hept-5-ynyl]carbamate
Appearance Colorless foam
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Formula C25H45NO3Si
InChI InChI=1S/C25H45NO3Si/c1-12-14-15-16-17-22(26-24(27)28-25(9,10)11)18-23(13-2)29-30(19(3)4,20(5)6)21(7)8/h2,19-23H,15-18H2,1,3-11H3,(H,26,27)/t22-,23+/m0/s1
InChIKey CUAQGGNBDIENQB-XZOQPEGZSA-N
Instrument Name Finnigan MAT 8200
Ionization Type EI
Literature Reference DOI 10.1002/chem.201601163
Molecular Weight 435.724 g/mol
Optical Rotation [a]D20 = -3.9 (c = 1.00, CHCl3)
Quality 178
Reported Formula C25H45NO3Si
SMILES N([C@](C[C@@](C#C)(O[Si](C(C)C)(C(C)C)C(C)C)[H])(CCCC#CC)[H])C(=O)OC(C)(C)C
SPLASH splash10-0a4l-9000000000-ea188c65279257dd7d86
Source of Spectrum QE-22-SM32-57 (DOI: 10.1002/chem.201601163)
Wiley ID 1903424