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6-Azatricyclo[3.2.0.02,4]heptan-7-one, (1.alpha.,2.beta.,4.beta.,5.a lpha.)-
SpectraBase Compound ID IFOE6W1aBCF
InChI InChI=1S/C6H7NO/c8-6-4-2-1-3(2)5(4)7-6/h2-5H,1H2,(H,7,8)/t2-,3+,4+,5-/m1/s1
InChIKey KRSUXXOEOYERMA-MGCNEYSASA-N
Mol Weight 109.13 g/mol
Molecular Formula C6H7NO
Exact Mass 109.052764 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E1c6YoTmZ2Y
Name 6-Azatricyclo[3.2.0.02,4]heptan-7-one, (1.alpha.,2.beta.,4.beta.,5.a lpha.)-
CAS Registry Number 105252-59-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H7NO
InChI InChI=1S/C6H7NO/c8-6-4-2-1-3(2)5(4)7-6/h2-5H,1H2,(H,7,8)/t2-,3+,4+,5-/m1/s1
InChIKey KRSUXXOEOYERMA-MGCNEYSASA-N
Molecular Weight 109.128 g/mol
SMILES N1C([C@@]2([C@]1([C@@]1([C@]2(C1)[H])[H])[H])[H])=O
SPLASH splash10-0gc0-9000000000-622a72aa8bc66eb659c7
Source of Spectrum K-120-210-23
Synonyms (1.alpha.,2.beta.,4.beta.,5.alpha.)-6-azatricyclo[3.2.0.0(2,4)]heptan-7-one (1.alpha.,2.beta.,4.beta.,5.alpha.)-6-azatricyclo[3.2.0.0(2,4)]heptane-7-one (1S,2R,4S,5R)-6-azatricyclo[3.2.0.0(2,4)]heptan-7-one
Wiley ID 1122168