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4(S)-[(tert-butyldiphenylsilyl)oxy]-6,6-bis(ethylthio)-hex-2(E)-enal
SpectraBase Compound ID C2cv1jmCQcu
InChI InChI=1S/C26H36O2S2Si/c1-6-29-25(30-7-2)21-22(15-14-20-27)28-31(26(3,4)5,23-16-10-8-11-17-23)24-18-12-9-13-19-24/h8-20,22,25H,6-7,21H2,1-5H3/b15-14+/t22-/m1/s1
InChIKey SNSVHFYBGCTSJH-JXVRESAISA-N
Mol Weight 472.8 g/mol
Molecular Formula C26H36O2S2Si
Exact Mass 472.192599 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FlduJG222fk
Name 4(S)-[(tert-butyldiphenylsilyl)oxy]-6,6-bis(ethylthio)-hex-2(E)-enal
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 472.192599280 u
Formula C26H36O2S2Si
InChI InChI=1S/C26H36O2S2Si/c1-6-29-25(30-7-2)21-22(15-14-20-27)28-31(26(3,4)5,23-16-10-8-11-17-23)24-18-12-9-13-19-24/h8-20,22,25H,6-7,21H2,1-5H3/b15-14+/t22-/m1/s1
InChIKey SNSVHFYBGCTSJH-JXVRESAISA-N
Molecular Weight 472.777 g/mol
SMILES [C@@](O[Si](C(C)(C)C)(C=1C=CC=CC1)C1=CC=CC=C1)(CC(SCC)SCC)(\C=C\C=O)[H]