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2-(2-Benzyloxy-1-nitromethylpropyl)[1,3]dithiane

View entire compound with spectra: 2 MS (GC)

2-(2-Benzyloxy-1-nitromethylpropyl)[1,3]dithiane
SpectraBase Compound ID 3Eo4mZJ3Yxf
InChI InChI=1S/C15H21NO3S2/c1-12(19-11-13-6-3-2-4-7-13)14(10-16(17)18)15-20-8-5-9-21-15/h2-4,6-7,12,14-15H,5,8-11H2,1H3
InChIKey NPNYTQYQXSVTNL-UHFFFAOYSA-N
Mol Weight 327.46 g/mol
Molecular Formula C15H21NO3S2
Exact Mass 327.096286 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BhMCzMzpf0b
Name 2-(2-BENZYLOXY-1-NITROMETHYLPROPYL)[1,3]DITHIANE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C15H21NO3S2
InChI InChI=1S/C15H21NO3S2/c1-12(19-11-13-6-3-2-4-7-13)14(10-16(17)18)15-20-8-5-9-21-15/h2-4,6-7,12,14-15H,5,8-11H2,1H3
InChIKey NPNYTQYQXSVTNL-UHFFFAOYSA-N
Molecular Weight 327.0958
SMILES C1SC(SCC1)C(C(OCc1ccccc1)C)CN(=O)=O
SPLASH splash10-0007-9600000000-10cbb7d667b7fb04de9e
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany