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(3S,5S)/(3R,5R)-1-Ethynyl-3-hydroxy-2-methyl-5-[(acetonoxime)carbonyloxy]cyclohex-1-ene
SpectraBase Compound ID 4ZR4xYdgc6C
InChI InChI=1S/C13H17NO4/c1-4-10-6-11(7-12(15)9(10)3)18-13(16)5-8(2)14-17/h1,11-12,15,17H,5-7H2,2-3H3/b14-8+/t11-,12-/m1/s1
InChIKey ZQPZCZABVIHZJE-MEUQCKMUSA-N
Mol Weight 251.28 g/mol
Molecular Formula C13H17NO4
Exact Mass 251.115758 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CIe0ahtQZvL
Name (3S,5S)/(3R,5R)-1-Ethynyl-3-hydroxy-2-methyl-5-[(acetonoxime)carbonyloxy]cyclohex-1-ene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17NO4
InChI InChI=1S/C13H17NO4/c1-4-10-6-11(7-12(15)9(10)3)18-13(16)5-8(2)14-17/h1,11-12,15,17H,5-7H2,2-3H3/b14-8+/t11-,12-/m1/s1
InChIKey ZQPZCZABVIHZJE-MEUQCKMUSA-N
Molecular Weight 251.282 g/mol
SMILES O[C@@]1(C[C@](OC(C\C(=N\O)C)=O)(CC(=C1C)C#C)[H])[H]
SPLASH splash10-0a4l-3900000000-0f9905b3d740b38698cb
Source of Spectrum J-66-4232-32
Synonyms (1R,5R)-3-ethynyl-5-hydroxy-4-methyl-3-cyclohexen-1-yl (3E)-3-(hydroxyimino)butanoate
Wiley ID 1535375