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2-Aziridinecarbothioic acid, 2-methyl-1-(phenylmethyl)-, S-phenyl ester, (.+-.)-
SpectraBase Compound ID HjKwhsOjaLJ
InChI InChI=1S/C17H17NOS/c1-17(16(19)20-15-10-6-3-7-11-15)13-18(17)12-14-8-4-2-5-9-14/h2-11H,12-13H2,1H3
InChIKey ZYABCBBAGWYKJO-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 L0UhrbpxIqQ
Name 2-Aziridinecarbothioic acid, 2-methyl-1-(phenylmethyl)-, S-phenyl ester, (.+-.)-
CAS Registry Number 114950-83-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H17NOS
InChI InChI=1S/C17H17NOS/c1-17(16(19)20-15-10-6-3-7-11-15)13-18(17)12-14-8-4-2-5-9-14/h2-11H,12-13H2,1H3
InChIKey ZYABCBBAGWYKJO-UHFFFAOYSA-N
Molecular Weight 283.389 g/mol
SMILES C1(N(Cc2ccccc2)C1)(C(Sc1ccccc1)=O)C
SPLASH splash10-002g-4900000000-9bf4b5c901430d22c08d
Source of Spectrum H-70-1687-8
Synonyms rac-S-phenyl 1-benzyl-2-methylaziridine-2-carbothioate S-phenyl 1-benzyl-2-methyl-2-aziridinecarbothioate
Wiley ID 1287027