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(2R,3S)-2-ETHYNYL-3-METHYL-N-(4-METHYLPHENYLSULFONYL)-AZIRIDINE
SpectraBase Compound ID 4vP1ydAUqAj
InChI InChI=1S/C12H13NO2S/c1-4-12-10(3)13(12)16(14,15)11-7-5-9(2)6-8-11/h1,5-8,10,12H,2-3H3/t10-,12+,13?/m0/s1
InChIKey SYPVHYVSWQKBDQ-LQNXFFKNSA-N
Mol Weight 235.3 g/mol
Molecular Formula C12H13NO2S
Exact Mass 235.0667 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID VXvavKEbOj
Name (2R,3S)-2-ethynyl-3-methyl-1-(p-tolylsulfonyl)aziridine
Comments Less than 3 mono-isotopic peaks
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Formula C12H13NO2S
InChI InChI=1S/C12H13NO2S/c1-4-12-10(3)13(12)16(14,15)11-7-5-9(2)6-8-11/h1,5-8,10,12H,2-3H3/t10-,12+,13?/m0/s1
InChIKey SYPVHYVSWQKBDQ-LQNXFFKNSA-N
Molecular Weight 235.301 g/mol
SMILES c1(S(N2[C@@](C#C)([H])[C@@]2(C)[H])(=O)=O)ccc(cc1)C
SPLASH splash10-001i-9000000000-57c019e9f32e86b95210
Source of Spectrum J-66-1873-4
Synonyms (2R,3S)-2-ethynyl-3-methyl-1-tosyl-ethylenimine (2R,3S)-2-ethynyl-3-methyl-1-(4-methylphenyl)sulfonylaziridine
Wiley ID 1534824