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Acetamide, N-[2-(acetyloxy)-5-oxo-1-(tricyclo[3.3.1.13,7]dec-1-ylthio)-3-pentenyl]-, [R*,S*-(E)]-
SpectraBase Compound ID uQXlhMzkh1
InChI InChI=1S/C19H27NO4S/c1-12(22)20-18(17(4-3-5-21)24-13(2)23)25-19-9-14-6-15(10-19)8-16(7-14)11-19/h3-5,14-18H,6-11H2,1-2H3,(H,20,22)/b4-3+/t14-,15+,16?,17-,18+,19-/m0/s1
InChIKey KGGMWXKMMVHDSS-QESPAHHLSA-N
Mol Weight 365.49 g/mol
Molecular Formula C19H27NO4S
Exact Mass 365.16608 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C9koGy8dyGI
Name Acetamide, N-[2-(acetyloxy)-5-oxo-1-(tricyclo[3.3.1.13,7]dec-1-ylthio)-3-pentenyl]-, [R*,S*-(E)]-
Alternate Name(s) (1S,2E)-1-[(R)-(acetylamino)(1-adamantylsulfanyl)methyl]-4-oxo-2-butenyl acetate trans-1-acetylamino-1-adamantylthio-2-acetoxy-5-oxo-3-pentene
CAS Registry Number 59720-90-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H27NO4S
InChI InChI=1S/C19H27NO4S/c1-12(22)20-18(17(4-3-5-21)24-13(2)23)25-19-9-14-6-15(10-19)8-16(7-14)11-19/h3-5,14-18H,6-11H2,1-2H3,(H,20,22)/b4-3+/t14-,15+,16?,17-,18+,19-/m0/s1
InChIKey KGGMWXKMMVHDSS-QESPAHHLSA-N
Molecular Weight 365.488 g/mol
SMILES N([C@](S[C@]12C[C@]3(C[C@@](C2)(CC(C1)C3)[H])[H])([C@@](OC(=O)C)(\C=C\C=O)[H])[H])C(=O)C
SPLASH splash10-000i-0900000000-fe3eb0438cc3c3ed9eda
Source of Spectrum Y-13-327-0
Wiley ID 1351361