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2-[(1S,2R)-2-acetyl-1-(4-ketopentyl)cyclobutyl]acetonitrile
SpectraBase Compound ID I96onZHfeaR
InChI InChI=1S/C13H19NO2/c1-10(15)4-3-6-13(8-9-14)7-5-12(13)11(2)16/h12H,3-8H2,1-2H3/t12-,13-/m0/s1
InChIKey DIIVYFAFBCZHMF-STQMWFEESA-N
Mol Weight 221.3 g/mol
Molecular Formula C13H19NO2
Exact Mass 221.141579 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5ARV2130o26
Name 2-[(1S,2R)-2-acetyl-1-(4-ketopentyl)cyclobutyl]acetonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H19NO2
InChI InChI=1S/C13H19NO2/c1-10(15)4-3-6-13(8-9-14)7-5-12(13)11(2)16/h12H,3-8H2,1-2H3/t12-,13-/m0/s1
InChIKey DIIVYFAFBCZHMF-STQMWFEESA-N
Molecular Weight 221.300 g/mol
SMILES [C@]1([C@@](CC#N)(CCCC(=O)C)CC1)(C(=O)C)[H]
SPLASH splash10-0596-9200000000-9ad9682dc08e69a33a12
Source of Spectrum U1-1999-1210-38
Synonyms 2-[(1S,2R)-2-acetyl-1-(4-oxopentyl)cyclobutyl]acetonitrile 2-[(1S,2R)-2-ethanoyl-1-(4-oxidanylidenepentyl)cyclobutyl]ethanenitrile
Wiley ID 753057