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3-{(S*)-1-[(tert-Butyldimethylsilyl)oxyethyl]}-1-[(R*)-(trimethylsilylethynyl)]-1H-isoquinoline-2-carboxylicacid phenyl ester isomer

View entire compound with spectra: 1 MS (GC)

3-{(S*)-1-[(tert-Butyldimethylsilyl)oxyethyl]}-1-[(R*)-(trimethylsilylethynyl)]-1H-isoquinoline-2-carboxylicacid phenyl ester isomer
SpectraBase Compound ID 7DtxTbWHyV9
InChI InChI=1S/C29H39NO3Si2/c1-22(33-35(8,9)29(2,3)4)27-21-23-15-13-14-18-25(23)26(19-20-34(5,6)7)30(27)28(31)32-24-16-11-10-12-17-24/h10-18,21-22,26H,1-9H3/t22-,26-/m0/s1
InChIKey SLHZWUYLOBIYIA-NVQXNPDNSA-N
Mol Weight 505.8 g/mol
Molecular Formula C29H39NO3Si2
Exact Mass 505.246847 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B35LTYailvM
Name 3-{(S*)-1-[(tert-Butyldimethylsilyl)oxyethyl]}-1-[(R*)-(trimethylsilylethynyl)]-1H-isoquinoline-2-carboxylicacid phenyl ester isomer
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H39NO3Si2
InChI InChI=1S/C29H39NO3Si2/c1-22(33-35(8,9)29(2,3)4)27-21-23-15-13-14-18-25(23)26(19-20-34(5,6)7)30(27)28(31)32-24-16-11-10-12-17-24/h10-18,21-22,26H,1-9H3/t22-,26-/m0/s1
InChIKey SLHZWUYLOBIYIA-NVQXNPDNSA-N
Molecular Weight 505.805 g/mol
SMILES C=1(N([C@](c2c(C1)cccc2)(C#C[Si](C)(C)C)[H])C(Oc1ccccc1)=O)[C@@](O[Si](C(C)(C)C)(C)C)(C)[H]
SPLASH splash10-0kml-9500100000-7729cae7cded4ec9548a
Source of Spectrum KD-12-1198-13
Wiley ID 1634365