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(3S,5S)-5-benzoxy-6-(1,3-dithiolan-2-yl)-6-methyl-3-triisopropylsilyloxy-enanthaldehyde

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(3S,5S)-5-benzoxy-6-(1,3-dithiolan-2-yl)-6-methyl-3-triisopropylsilyloxy-enanthaldehyde
SpectraBase Compound ID J1Fe2s3CLiu
InChI InChI=1S/C27H46O3S2Si/c1-20(2)33(21(3)4,22(5)6)30-24(14-15-28)18-25(27(7,8)26-31-16-17-32-26)29-19-23-12-10-9-11-13-23/h9-13,15,20-22,24-26H,14,16-19H2,1-8H3/t24-,25+/m1/s1
InChIKey KMZLAWLTTABLDS-RPBOFIJWSA-N
Mol Weight 510.9 g/mol
Molecular Formula C27H46O3S2Si
Exact Mass 510.265764 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7a3C7K45jjs
Name (3S,5S)-5-Benzoxy-6-(1,3-dithiolan-2-yl)-6-methyl-3-triisopropylsilyloxy-enanthaldehyde
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 510.265764221 u
Formula C27H46O3S2Si
InChI InChI=1S/C27H46O3S2Si/c1-20(2)33(21(3)4,22(5)6)30-24(14-15-28)18-25(27(7,8)26-31-16-17-32-26)29-19-23-12-10-9-11-13-23/h9-13,15,20-22,24-26H,14,16-19H2,1-8H3/t24-,25+/m1/s1
InChIKey KMZLAWLTTABLDS-RPBOFIJWSA-N
Molecular Weight 510.867 g/mol
SMILES C(C1SCCS1)([C@](C[C@](O[Si](C(C)C)(C(C)C)C(C)C)(CC=O)[H])(OCC=1C=CC=CC1)[H])(C)C