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Acetamide, N-[2-(acetyloxy)-1-[(1,1-dimethylethyl)thio]-5-oxo-3-pentenyl]-, [R*,S*-(E)]-
SpectraBase Compound ID J2RODRDY2pZ
InChI InChI=1S/C13H21NO4S/c1-9(16)14-12(19-13(3,4)5)11(7-6-8-15)18-10(2)17/h6-8,11-12H,1-5H3,(H,14,16)/b7-6+/t11-,12+/m0/s1
InChIKey GMMDVTSLQYRZPI-FNSAGKMKSA-N
Mol Weight 287.37 g/mol
Molecular Formula C13H21NO4S
Exact Mass 287.119129 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B3SkfIvXP0K
Name Acetamide, N-[2-(acetyloxy)-1-[(1,1-dimethylethyl)thio]-5-oxo-3-pentenyl]-, [R*,S*-(E)]-
CAS Registry Number 59720-93-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H21NO4S
InChI InChI=1S/C13H21NO4S/c1-9(16)14-12(19-13(3,4)5)11(7-6-8-15)18-10(2)17/h6-8,11-12H,1-5H3,(H,14,16)/b7-6+/t11-,12+/m0/s1
InChIKey GMMDVTSLQYRZPI-FNSAGKMKSA-N
Molecular Weight 287.374 g/mol
SMILES N([C@](SC(C)(C)C)([C@@](OC(=O)C)(\C=C\C=O)[H])[H])C(=O)C
SPLASH splash10-0gw1-1900000000-be2ee2488c81a5351246
Source of Spectrum Y-13-321-0
Synonyms (1S,2E)-1-[(R)-(acetylamino)(tert-butylsulfanyl)methyl]-4-oxo-2-butenyl acetate trans-1-acetylamino-1-tert-butylthio-2-acetoxy-5-oxo-3-pentene
Wiley ID 1290663