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(S)-3-(tert-Butylsulfonyl)-3-deuterocyclooct-1-ene
SpectraBase Compound ID 4UPEEhYGJGT
InChI InChI=1S/C12H22O2S/c1-12(2,3)15(13,14)11-9-7-5-4-6-8-10-11/h7,9,11H,4-6,8,10H2,1-3H3/b9-7-/i11D
InChIKey NYEHQUIZUYBTMT-JJHBCGRDSA-N
Mol Weight 231.37 g/mol
Molecular Formula C12H21DO2S
Exact Mass 231.140328 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ialea70AUlf
Name (S)-3-(tert-Butylsulfonyl)-3-deuterocyclooct-1-ene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 231.140327866 u
Formula C12H21DO2S
InChI InChI=1S/C12H22O2S/c1-12(2,3)15(13,14)11-9-7-5-4-6-8-10-11/h7,9,11H,4-6,8,10H2,1-3H3/b9-7-/i11D
InChIKey NYEHQUIZUYBTMT-JJHBCGRDSA-N
Instrument Name Varian Model 3700, Varian MAT 112 S
Ionization Type EI
Literature Reference DOI 10.1002/chem.201503123
Molecular Weight 231.372 g/mol
Quality 108
SMILES C1(\C=C/CCCCC1)([D])S(C(C)(C)C)(=O)=O
SPLASH splash10-0a4i-9300000000-7497bca22c4c6bcd5196
Sample Comments 20% ee
Source of Spectrum QE-21-SM7-(S)-D-15 (DOI: 10.1002/chem.201503123)
Wiley ID 1907408