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5-{[(16R)-tert-butyldimethylsilyloxy]heptadecyl}-2,2-dimethylbenzo[1,3]dioxin-4-one
SpectraBase Compound ID 5oSWIrk6qH
InChI InChI=1S/C33H58O4Si/c1-27(37-38(7,8)32(2,3)4)23-20-18-16-14-12-10-9-11-13-15-17-19-21-24-28-25-22-26-29-30(28)31(34)36-33(5,6)35-29/h22,25-27H,9-21,23-24H2,1-8H3/t27-/m1/s1
InChIKey SATLCAOONSGDQU-HHHXNRCGSA-N
Mol Weight 546.9 g/mol
Molecular Formula C33H58O4Si
Exact Mass 546.410437 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FoH3WbJEEu8
Name 5-{[(16R)-tert-butyldimethylsilyloxy]heptadecyl}-2,2-dimethylbenzo[1,3]dioxin-4-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 546.410436879 u
Formula C33H58O4Si
InChI InChI=1S/C33H58O4Si/c1-27(37-38(7,8)32(2,3)4)23-20-18-16-14-12-10-9-11-13-15-17-19-21-24-28-25-22-26-29-30(28)31(34)36-33(5,6)35-29/h22,25-27H,9-21,23-24H2,1-8H3/t27-/m1/s1
InChIKey SATLCAOONSGDQU-HHHXNRCGSA-N
Molecular Weight 546.908 g/mol
SMILES C1(C=2C(=CC=CC2CCCCCCCCCCCCCCC[C@](O[Si](C(C)(C)C)(C)C)(C)[H])OC(O1)(C)C)=O