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2-Aziridinecarbothioic acid, 1-(1-phenylethyl)-, S-phenyl ester, [1S-[1.alpha.(R*),2.beta.]]-
SpectraBase Compound ID 2DEpYlcAdQQ
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
InChIKey MALHZIYFWVLNPY-UHFFFAOYSA-N
Mol Weight 283.39 g/mol
Molecular Formula C17H17NOS
Exact Mass 283.103085 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7ynsFmB9ajQ
Name 2-Aziridinecarbothioic acid, 1-(1-phenylethyl)-, S-phenyl ester, [1S-[1.alpha.(R*),2.beta.]]-
CAS Registry Number 114950-86-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H17NOS
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
InChIKey MALHZIYFWVLNPY-UHFFFAOYSA-N
Molecular Weight 283.389 g/mol
SMILES c1cccc(SC(C2N(C2)C(C)c2ccccc2)=O)c1
SPLASH splash10-0ab9-0900000000-d6800d499f1f05c36e16
Synonyms S-Phenyl 1-(1-phenylethyl)-2-aziridinecarbothioate 1-(1-phenylethyl)-2-aziridinecarbothioic acid S-phenyl ester 1-(1-phenylethyl)ethylenimine-2-carbothioic acid S-phenyl ester S-phenyl 1-(1-phenylethyl)aziridine-2-carbothioate
Wiley ID 1485262