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(1R*,2R*,5S*)-2-Cyano-8-oxobicyclo[3.3.1]nonane
SpectraBase Compound ID DIA33by6hQt
InChI InChI=1S/C10H13NO/c11-6-8-3-1-7-2-4-10(12)9(8)5-7/h7-9H,1-5H2/t7-,8-,9+/m0/s1
InChIKey JDFQRWBPAUCWOT-XHNCKOQMSA-N
Mol Weight 163.22 g/mol
Molecular Formula C10H13NO
Exact Mass 163.099714 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4khX6wcc9vt
Name (1R*,2R*,5S*)-2-Cyano-8-oxobicyclo[3.3.1]nonane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H13NO
InChI InChI=1S/C10H13NO/c11-6-8-3-1-7-2-4-10(12)9(8)5-7/h7-9H,1-5H2/t7-,8-,9+/m0/s1
InChIKey JDFQRWBPAUCWOT-XHNCKOQMSA-N
Molecular Weight 163.220 g/mol
SMILES [C@@]12(C(=O)CC[C@@](C2)(CC[C@]1(C#N)[H])[H])[H]
SPLASH splash10-01q9-6900000000-85b6c69b59069b0237eb
Source of Spectrum C-115-5951-19
Synonyms (1R,2R,5S)-8-oxobicyclo[3.3.1]nonane-2-carbonitrile
Wiley ID 1159610