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2-Benzylthio-2-nitromethylbutane
SpectraBase Compound ID FfjXRtKzqbU
InChI InChI=1S/C12H17NO2S/c1-3-12(2,10-13(14)15)16-9-11-7-5-4-6-8-11/h4-8H,3,9-10H2,1-2H3
InChIKey VKPSCHVLIGKZLV-UHFFFAOYSA-N
Mol Weight 239.33 g/mol
Molecular Formula C12H17NO2S
Exact Mass 239.098 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 32P7nfIsbqu
Name 2-Benzylthio-2-nitromethylbutane
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H17NO2S
InChI InChI=1S/C12H17NO2S/c1-3-12(2,10-13(14)15)16-9-11-7-5-4-6-8-11/h4-8H,3,9-10H2,1-2H3
InChIKey VKPSCHVLIGKZLV-UHFFFAOYSA-N
Molecular Weight 239.333 g/mol
SMILES CC(CC)(CN(=O)=O)SCc1ccccc1
SPLASH splash10-0006-0930000000-cb8089bdf0859d900bd5
Source of Spectrum J-66-1988-8
Synonyms ({[1-methyl-1-(nitromethyl)propyl]sulfanyl}methyl)benzene benzyl 1-methyl-1-(nitromethyl)propyl sulfide
Wiley ID 1534774