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2-Aziridinecarbothioic acid, 1-(1-phenylethyl)-2-(2-propenyl)-, S-phenyl ester, [S-(R*,R*)]-
SpectraBase Compound ID FVYhiPQ0kdK
InChI InChI=1S/C20H21NOS/c1-3-14-20(19(22)23-18-12-8-5-9-13-18)15-21(20)16(2)17-10-6-4-7-11-17/h3-13,16H,1,14-15H2,2H3/t16-,20-,21?/m0/s1
InChIKey VJVPSJGQPZKNPO-SQWITBJMSA-N
Mol Weight 323.45 g/mol
Molecular Formula C20H21NOS
Exact Mass 323.134385 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cp7Bov7csCD
Name 2-Aziridinecarbothioic acid, 1-(1-phenylethyl)-2-(2-propenyl)-, S-phenyl ester, [S-(R*,R*)]-
CAS Registry Number 114950-92-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H21NOS
InChI InChI=1S/C20H21NOS/c1-3-14-20(19(22)23-18-12-8-5-9-13-18)15-21(20)16(2)17-10-6-4-7-11-17/h3-13,16H,1,14-15H2,2H3/t16-,20-,21?/m0/s1
InChIKey VJVPSJGQPZKNPO-SQWITBJMSA-N
Molecular Weight 323.454 g/mol
SMILES [C@]1(N([C@](c2ccccc2)(C)[H])C1)(C(Sc1ccccc1)=O)CC=C
SPLASH splash10-0a4i-0930000000-9b659463d3308c1ebab5
Source of Spectrum H-70-1690-21
Synonyms S-phenyl (-)-(2S,1'S)-2-allyl-1-(1-phenylethyl)aziridine-2-carbothioate S-phenyl (2S)-2-allyl-1-[(1S)-1-phenylethyl]-2-aziridinecarbothioate
Wiley ID 1322565