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(1R)-4-(Tert.-butyldimethylsilyloxy)-1-(1'-nitro-4',4'-diphenylcyclohexyl)-1-diphenylphosphatoxy-butane

View entire compound with spectra: 2 NMR

(1R)-4-(Tert.-butyldimethylsilyloxy)-1-(1'-nitro-4',4'-diphenylcyclohexyl)-1-diphenylphosphatoxy-butane
SpectraBase Compound ID bDRNc5r6ZN
InChI InChI=1S/C40H50NO7PSi/c1-38(2,3)50(4,5)45-32-18-27-37(48-49(44,46-35-23-14-8-15-24-35)47-36-25-16-9-17-26-36)40(41(42)43)30-28-39(29-31-40,33-19-10-6-11-20-33)34-21-12-7-13-22-34/h6-17,19-26,37H,18,27-32H2,1-5H3/t37-/m1/s1
InChIKey HDNWOLMQPRAQOX-DIPNUNPCSA-N
Mol Weight 715.9 g/mol
Molecular Formula C40H50NO7PSi
Exact Mass 715.309416 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7DthFB6G1zA
Name (1R)-4-(Tert.-butyldimethylsilyloxy)-1-(1'-nitro-4',4'-diphenylcyclohexyl)-1-diphenylphosphatoxy-butane
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 715.309416480 u
Formula C40H50NO7PSi
InChI InChI=1S/C40H50NO7PSi/c1-38(2,3)50(4,5)45-32-18-27-37(48-49(44,46-35-23-14-8-15-24-35)47-36-25-16-9-17-26-36)40(41(42)43)30-28-39(29-31-40,33-19-10-6-11-20-33)34-21-12-7-13-22-34/h6-17,19-26,37H,18,27-32H2,1-5H3/t37-/m1/s1
InChIKey HDNWOLMQPRAQOX-DIPNUNPCSA-N
Molecular Weight 715.899 g/mol
SMILES C1(N(=O)=O)(CCC(CC1)(C1=CC=CC=C1)C1=CC=CC=C1)[C@@](CCCO[Si](C)(C)C(C)(C)C)(OP(=O)(OC1=CC=CC=C1)OC1=CC=CC=C1)[H]