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(R,E)-5-(tert-Butylsulfonyl)-5-(methoxymethyl)hept-3-ene
SpectraBase Compound ID FJpGU2ROE4b
InChI InChI=1S/C13H26O3S/c1-7-9-10-13(8-2,11-16-6)17(14,15)12(3,4)5/h9-10H,7-8,11H2,1-6H3/b10-9+/t13-/m1/s1
InChIKey CMIOGUNSKWNEDA-WTNCMQEWSA-N
Mol Weight 262.41 g/mol
Molecular Formula C13H26O3S
Exact Mass 262.160266 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1HlEPeoa1Xs
Name (R,E)-5-(tert-Butylsulfonyl)-5-(methoxymethyl)hept-3-ene
Appearance Colourless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 262.160265868 u
Formula C13H26O3S
InChI InChI=1S/C13H26O3S/c1-7-9-10-13(8-2,11-16-6)17(14,15)12(3,4)5/h9-10H,7-8,11H2,1-6H3/b10-9+/t13-/m1/s1
InChIKey CMIOGUNSKWNEDA-WTNCMQEWSA-N
Instrument Name Varian MAT 212 S
Ionization Type EI
Literature Reference DOI 10.1002/chem.201503123
Molecular Weight 262.408 g/mol
Quality 121
SMILES C([C@](S(C(C)(C)C)(=O)=O)(COC)\C=C\CC)C
SPLASH splash10-0006-2900000000-52ee3e1d45ae99496ed4
Sample Comments 86% ee
Source of Spectrum QE-21-SM6-(R)-43 (DOI: 10.1002/chem.201503123)
Wiley ID 1907404