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(E,3R,4S)-1-Iodo-3,4,7-tris(tert-butyldimethylsilyloxy)-1-heptene

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

(E,3R,4S)-1-Iodo-3,4,7-tris(tert-butyldimethylsilyloxy)-1-heptene
SpectraBase Compound ID BJxucdewk69
InChI InChI=1S/C25H55IO3Si3/c1-23(2,3)30(10,11)27-20-16-17-21(28-31(12,13)24(4,5)6)22(18-19-26)29-32(14,15)25(7,8)9/h18-19,21-22H,16-17,20H2,1-15H3/b19-18+/t21-,22+/m0/s1
InChIKey GMORLKOQGMXFLM-ICWQGCNBSA-N
Mol Weight 614.9 g/mol
Molecular Formula C25H55IO3Si3
Exact Mass 614.25037 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HSJhseQyaCb
Name (E,3R,4S)-1-Iodo-3,4,7-tris(tert-butyldimethylsilyloxy)-1-heptene
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 614.250370233 u
Formula C25H55IO3Si3
InChI InChI=1S/C25H55IO3Si3/c1-23(2,3)30(10,11)27-20-16-17-21(28-31(12,13)24(4,5)6)22(18-19-26)29-32(14,15)25(7,8)9/h18-19,21-22H,16-17,20H2,1-15H3/b19-18+/t21-,22+/m0/s1
InChIKey GMORLKOQGMXFLM-ICWQGCNBSA-N
Molecular Weight 614.871 g/mol
SMILES [C@](O[Si](C(C)(C)C)(C)C)([C@](O[Si](C(C)(C)C)(C)C)(\C=C\I)[H])(CCCO[Si](C(C)(C)C)(C)C)[H]