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trans-3-methyl-5-phenyl-1,2,6-thiadiazinane 1,1-dioxide
SpectraBase Compound ID kWt5RZ5SOC
InChI InChI=1S/C10H14N2O2S/c1-8-7-10(12-15(13,14)11-8)9-5-3-2-4-6-9/h2-6,8,10-12H,7H2,1H3/t8-,10+/m0/s1
InChIKey VJZINLRTQVSEER-WCBMZHEXSA-N
Mol Weight 226.29 g/mol
Molecular Formula C10H14N2O2S
Exact Mass 226.077599 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AhH8hotSSqO
Name trans-3-methyl-5-phenyl-1,2,6-thiadiazinane 1,1-dioxide
Appearance White solid
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Exact Mass 226.077598871 u
Formula C10H14N2O2S
InChI InChI=1S/C10H14N2O2S/c1-8-7-10(12-15(13,14)11-8)9-5-3-2-4-6-9/h2-6,8,10-12H,7H2,1H3/t8-,10+/m0/s1
InChIKey VJZINLRTQVSEER-WCBMZHEXSA-N
Instrument Name SHIMADZU GCMS-QP2010
Ionization Type EI
Literature Reference DOI 10.1002/chem.202102635
Molecular Weight 226.294 g/mol
Quality 132
Reported Formula C10H14N2O2S
SMILES N1S(N[C@](C[C@@]1(C)[H])(C1=CC=CC=C1)[H])(=O)=O
SPLASH splash10-0udi-1900000000-d431b92900bc562e55fd
Sample Comments trans-isomer, cis/trans = 79:21
Source of Spectrum QE-27-SM28-2s (DOI: 10.1002/chem.202102635)
Wiley ID 1902208