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S-Phenyl (+)-(2R,1'S)-1-(1-Phenylethyl)(2-deuterio)aziridine-2-carbothioate
SpectraBase Compound ID qdrf82p7Ke
InChI InChI=1S/C17H17NOS/c1-13(14-8-4-2-5-9-14)18-12-16(18)17(19)20-15-10-6-3-7-11-15/h2-11,13,16H,12H2,1H3/t13-,16+,18?/m0/s1/i16D
InChIKey MALHZIYFWVLNPY-OVXWYIFGSA-N
Mol Weight 284.4 g/mol
Molecular Formula C17H162DNOS
Exact Mass 284.109362 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2OHkdBovuEx
Name S-Phenyl (-)-(2S,1'S)-1-(1-Phenylethyl)(2-deuterio)aziridine-2-carbothioate
CAS Registry Number 114950-95-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H16DNOS
InChI InChI=1S/C17H17NOS/c1-13(14-8-4-2-5-9-14)18-12-16(18)17(19)20-15-10-6-3-7-11-15/h2-11,13,16H,12H2,1H3/t13-,16+,18?/m0/s1/i16D
InChIKey MALHZIYFWVLNPY-OVXWYIFGSA-N
Molecular Weight 284.395 g/mol
SMILES [C@@]1(N(C1)[C@](c1ccccc1)(C)[H])(C(Sc1ccccc1)=O)[2D]
SPLASH splash10-0a6r-0900000000-d42e9aba45967145963b
Source of Spectrum H-70-1690-18
Synonyms S-Phenyl (+)-(2R,1'S)-1-(1-Phenylethyl)(2-deuterio)aziridine-2-carbothioate S-Phenyl (-)-(2S,1'S)-1-(1-Phenylethyl)aziridine-2-carbothioate S-Phenyl (-)-(S)-1-Benzyl-2-methylaziridine-2-carbothioate
Wiley ID 1287037