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1-(4-Chlorophenyl)-3,4,5,6-tetrahydro-1,2-thiazine 1-oxide
SpectraBase Compound ID B0OuQM2fJTz
InChI InChI=1S/C10H12ClNOS/c11-9-3-5-10(6-4-9)14(13)8-2-1-7-12-14/h3-6H,1-2,7-8H2
InChIKey ISOQGQFMYVQXJH-UHFFFAOYSA-N
Mol Weight 229.72 g/mol
Molecular Formula C10H12ClNOS
Exact Mass 229.032813 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G6sb3nEBTZ4
Name 1-(4-Chlorophenyl)-3,4,5,6-tetrahydro-1,2-thiazine 1-oxide
Appearance White solid
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Exact Mass 229.032812883 u
Formula C10H12ClNOS
InChI InChI=1S/C10H12ClNOS/c11-9-3-5-10(6-4-9)14(13)8-2-1-7-12-14/h3-6H,1-2,7-8H2
InChIKey ISOQGQFMYVQXJH-UHFFFAOYSA-N
Instrument Name Finnigan SSQ 7000
Ionization Type EI
Literature Reference DOI 10.1002/anie.201804284
Molecular Weight 229.725 g/mol
Reported Formula C10H12ClNOS
SMILES C1(=CC=C(C=C1)Cl)S1(=NCCCC1)=O
SPLASH splash10-0a7i-0980000000-780717a8eca0f5eb60c3
Source of Spectrum ACI-57-SM16-2u (DOI: 10.1002/anie.201804284)
Thin-Layer Chromatography 0.50 (EtOAc/MeOH, 10:1)
Wiley ID 1893351