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rac-S-Phenyl 1-benzyl-2-(.alpha.-hydroxybenzyl)aziridine-2-carbothioate
SpectraBase Compound ID 2w3YDjZXrNk
InChI InChI=1S/C23H21NO2S/c25-21(19-12-6-2-7-13-19)23(22(26)27-20-14-8-3-9-15-20)17-24(23)16-18-10-4-1-5-11-18/h1-15,21,25H,16-17H2
InChIKey OTBFTNQVWWXIIC-UHFFFAOYSA-N
Mol Weight 375.49 g/mol
Molecular Formula C23H21NO2S
Exact Mass 375.1293 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AfQX6cdC0qb
Name rac-S-Phenyl 1-benzyl-2-(.alpha.-hydroxybenzyl)aziridine-2-carbothioate
CAS Registry Number 114951-03-0
Comments Less than 3 mono-isotopic peaks
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Formula C23H21NO2S
InChI InChI=1S/C23H21NO2S/c25-21(19-12-6-2-7-13-19)23(22(26)27-20-14-8-3-9-15-20)17-24(23)16-18-10-4-1-5-11-18/h1-15,21,25H,16-17H2
InChIKey OTBFTNQVWWXIIC-UHFFFAOYSA-N
Molecular Weight 375.486 g/mol
SMILES OC(C1(N(Cc2ccccc2)C1)C(Sc1ccccc1)=O)c1ccccc1
SPLASH splash10-0006-9000000000-cf5a46f1bd38c2e56bb0
Source of Spectrum H-70-1687-7
Synonyms S-phenyl 1-benzyl-2-[hydroxy(phenyl)methyl]-2-aziridinecarbothioate
Wiley ID 1357277