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1-(tert-Butylsulfonyl)-3-deuterocyclooct-1-ene
SpectraBase Compound ID 6Qsl5vZBMTm
InChI InChI=1S/C12H22O2S/c1-12(2,3)15(13,14)11-9-7-5-4-6-8-10-11/h9H,4-8,10H2,1-3H3/b11-9+/i7D
InChIKey DQVBGIYQBPQKAG-LHQUZQSJSA-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 JlpEz25SYa6
Name 1-(tert-Butylsulfonyl)-3-deuterocyclooct-1-ene
Appearance Colourless solid
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/h9H,4-8,10H2,1-3H3/b11-9+/i7D
InChIKey DQVBGIYQBPQKAG-LHQUZQSJSA-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/(S(C(C)(C)C)(=O)=O)CCCCC1)[D]
SPLASH splash10-0a4i-9300000000-7497bca22c4c6bcd5196
Source of Spectrum QE-21-SM7-D-50 (DOI: 10.1002/chem.201503123)
Wiley ID 1907410