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(S)-2-benzyl-N-((S)-1-phenylethyl)-5-(triisopropylsilyl)pent-4-ynamide
SpectraBase Compound ID Jn2d4r9Cw3s
InChI InChI=1S/C29H41NOSi/c1-22(2)32(23(3)4,24(5)6)20-14-19-28(21-26-15-10-8-11-16-26)29(31)30-25(7)27-17-12-9-13-18-27/h8-13,15-18,22-25,28H,19,21H2,1-7H3,(H,30,31)/t25-,28+/m0/s1
InChIKey RUJIHYPRAKVGSI-LBNVMWSVSA-N
Mol Weight 447.7 g/mol
Molecular Formula C29H41NOSi
Exact Mass 447.295741 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5H4SpZyEWww
Name (S)-2-benzyl-N-((S)-1-phenylethyl)-5-(triisopropylsilyl)pent-4-ynamide
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 447.295741478 u
Formula C29H41NOSi
InChI InChI=1S/C29H41NOSi/c1-22(2)32(23(3)4,24(5)6)20-14-19-28(21-26-15-10-8-11-16-26)29(31)30-25(7)27-17-12-9-13-18-27/h8-13,15-18,22-25,28H,19,21H2,1-7H3,(H,30,31)/t25-,28+/m0/s1
InChIKey RUJIHYPRAKVGSI-LBNVMWSVSA-N
Instrument Name FINNIGAN MAT 95Q
Ionization Type EI
Literature Reference DOI 10.1002/anie.202214377
Molecular Weight 447.738 g/mol
Optical Rotation [a]D20 = +23.6 (c = 1.76, CHCl3)
Quality 25
Reported Formula C29H41NOSi
SMILES N(C([C@@](CC1=CC=CC=C1)(CC#C[Si](C(C)C)(C(C)C)C(C)C)[H])=O)[C@@](C)(C1=CC=CC=C1)[H]
SPLASH splash10-0a4i-4900000000-84eb0d0fa2a72348b8e6
Sample Comments dr = 94:6, 96% ee
Source of Spectrum ACI-62-SM75-(2'S,3S)-4s (DOI: 10.1002/anie.202214377)
Wiley ID 1908199