For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
methyl (2R,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-7-iodo-2,5-dimethyl-heptanoate
SpectraBase Compound ID C1aGqvjL4EY
InChI InChI=1S/C16H33IO3Si/c1-12(9-10-17)11-14(13(2)15(18)19-6)20-21(7,8)16(3,4)5/h12-14H,9-11H2,1-8H3/t12-,13+,14+/m0/s1
InChIKey OKUFTTSTJNJHLM-BFHYXJOUSA-N
Mol Weight 428.4 g/mol
Molecular Formula C16H33IO3Si
Exact Mass 428.124366 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID H2BZRluIcQK
Name methyl (2R,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-7-iodo-2,5-dimethyl-heptanoate
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 428.124366455 u
Formula C16H33IO3Si
InChI InChI=1S/C16H33IO3Si/c1-12(9-10-17)11-14(13(2)15(18)19-6)20-21(7,8)16(3,4)5/h12-14H,9-11H2,1-8H3/t12-,13+,14+/m0/s1
InChIKey OKUFTTSTJNJHLM-BFHYXJOUSA-N
Instrument Name Finnigan MAT 8200
Ionization Type EI
Literature Reference DOI 10.1002/chem.201404873
Molecular Weight 428.426 g/mol
Optical Rotation [a]D20 = -6.5 (c = 1, CHCl3)
Quality 161
Reported Formula C16H33O3ISi
SMILES [C@@](CCI)(C[C@]([C@](C(OC)=O)(C)[H])(O[Si](C(C)(C)C)(C)C)[H])(C)[H]
SPLASH splash10-00dr-9307000000-9e5cb18f328859185772
Source of Spectrum QE-21-SM13-33b (DOI: 10.1002/chem.201404873)
Wiley ID 1906279