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N-cyclohexyl-2-phenyl-1,3-dithiane-2-carbothioamide
SpectraBase Compound ID 2ez1FNuP0QK
InChI InChI=1S/C17H23NS3/c19-16(18-15-10-5-2-6-11-15)17(20-12-7-13-21-17)14-8-3-1-4-9-14/h1,3-4,8-9,15H,2,5-7,10-13H2,(H,18,19)
InChIKey PSPLNLQVGPXJHZ-UHFFFAOYSA-N
Mol Weight 337.56 g/mol
Molecular Formula C17H23NS3
Exact Mass 337.099263 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 16zJyTAm2a9
Name N-cyclohexyl-2-phenyl-1,3-dithiane-2-carbothioamide
Appearance Orange solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 337.099263267 u
Formula C17H23NS3
InChI InChI=1S/C17H23NS3/c19-16(18-15-10-5-2-6-11-15)17(20-12-7-13-21-17)14-8-3-1-4-9-14/h1,3-4,8-9,15H,2,5-7,10-13H2,(H,18,19)
InChIKey PSPLNLQVGPXJHZ-UHFFFAOYSA-N
Instrument Name Shimadzu QP 1000
Ionization Type EI
Literature Reference DOI 10.1002/chem.201504247
Molecular Weight 337.558 g/mol
Quality 165
Reported Formula C17H23NS3
SMILES N(C1CCCCC1)C(=S)C1(SCCCS1)C1=CC=CC=C1
SPLASH splash10-006t-2900000000-d2f1bd00284311598457
Source of Spectrum QE-21-SM35-33 (DOI: 10.1002/chem.201504247)
Wiley ID 1907537