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2-Butyl-2-(4-nitrobut-3-enyl)-1,3-dithiane

View entire compound with spectra: 1 MS (GC)

2-Butyl-2-(4-nitrobut-3-enyl)-1,3-dithiane
SpectraBase Compound ID FCeJ0B0HRGp
InChI InChI=1S/C12H21NO2S2/c1-2-3-7-12(16-10-6-11-17-12)8-4-5-9-13(14)15/h5,9H,2-4,6-8,10-11H2,1H3/b9-5+
InChIKey KWMFQUSEQRCAPK-WEVVVXLNSA-N
Mol Weight 275.43 g/mol
Molecular Formula C12H21NO2S2
Exact Mass 275.101371 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JIJViFlgvCz
Name 2-Butyl-2-(4-nitrobut-3-enyl)-1,3-dithiane
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H21NO2S2
InChI InChI=1S/C12H21NO2S2/c1-2-3-7-12(16-10-6-11-17-12)8-4-5-9-13(14)15/h5,9H,2-4,6-8,10-11H2,1H3/b9-5+
InChIKey KWMFQUSEQRCAPK-WEVVVXLNSA-N
Literature Reference DOI 10.1002/cjoc.200690222
Molecular Weight 275.425 g/mol
SMILES C1SC(SCC1)(CCCC)CC\C=C\[N+](=O)[O-]
SPLASH splash10-002f-9870000000-45473e00600694e284e6
Source of Spectrum CJC-24-1193-8
Synonyms (E)-2-butyl-2-(4-nitrobut-3-en-1-yl)-1,3-dithiane
Wiley ID 1774366