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(3R,4S)-4-benzyl-3-butyl-1,2-thiazetidine 1,1-dioxide
SpectraBase Compound ID LQCgqSDyQwC
InChI InChI=1S/C13H19NO2S/c1-2-3-9-12-13(17(15,16)14-12)10-11-7-5-4-6-8-11/h4-8,12-14H,2-3,9-10H2,1H3/t12-,13+/m1/s1
InChIKey VMXXSHTZZLQJFB-OLZOCXBDSA-N
Mol Weight 253.36 g/mol
Molecular Formula C13H19NO2S
Exact Mass 253.11365 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4oKADcBzb1F
Name (3R,4S)-4-benzyl-3-butyl-1,2-thiazetidine 1,1-dioxide
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Formula C13H19NO2S
InChI InChI=1S/C13H19NO2S/c1-2-3-9-12-13(17(15,16)14-12)10-11-7-5-4-6-8-11/h4-8,12-14H,2-3,9-10H2,1H3/t12-,13+/m1/s1
InChIKey VMXXSHTZZLQJFB-OLZOCXBDSA-N
Molecular Weight 253.360 g/mol
SMILES N1[C@@]([C@@](S1(=O)=O)(Cc1ccccc1)[H])(CCCC)[H]
SPLASH splash10-001s-1900000000-9d6a1eb6591efc913a8a
Source of Spectrum C5-2002-1814-5
Synonyms (S,R)-4-Benzyl-3-butyl[1,2]thiazetidine-1,1-dioxide
Wiley ID 1617759