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3a(1H)-Pentalenecarbonitrile, hexahydro-1-oxo-, cis-(.+-.)-
SpectraBase Compound ID CEnUNXeJ6nu
InChI InChI=1S/C9H11NO/c10-6-9-4-1-2-7(9)8(11)3-5-9/h7H,1-5H2/t7-,9+/m1/s1
InChIKey OYOHQZGRRHGVKV-APPZFPTMSA-N
Mol Weight 149.19 g/mol
Molecular Formula C9H11NO
Exact Mass 149.084064 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8yPk7Pm0S93
Name 3a(1H)-Pentalenecarbonitrile, hexahydro-1-oxo-, cis-(.+-.)-
Alternate Name(s) (1R*,5S*)-4-oxobicyclo[3.3.0]octan-1-carbonitrile (3aR,6aS)-1-oxohexahydro-3a(1H)-pentalenecarbonitrile
CAS Registry Number 77546-56-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H11NO
InChI InChI=1S/C9H11NO/c10-6-9-4-1-2-7(9)8(11)3-5-9/h7H,1-5H2/t7-,9+/m1/s1
InChIKey OYOHQZGRRHGVKV-APPZFPTMSA-N
Molecular Weight 149.193 g/mol
SMILES [C@]12(C#N)[C@@](C(=O)CC2)(CCC1)[H]
SPLASH splash10-0avi-9300000000-860e7554b7cc89257126
Source of Spectrum H-64-1128-0
Wiley ID 1146311