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3aH-Cyclopentacyclododecene-3a-carbonitrile, tetradecahydro-2-oxo-, (3aR*,13aR*)-
SpectraBase Compound ID JPDoHaMunMu
InChI InChI=1S/C16H25NO/c17-13-16-10-8-6-4-2-1-3-5-7-9-14(16)11-15(18)12-16/h14H,1-12H2/t14-,16+/m0/s1
InChIKey SIVRHJOVFDZUHQ-GOEBONIOSA-N
Mol Weight 247.38 g/mol
Molecular Formula C16H25NO
Exact Mass 247.193614 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KXaaaSpvlfi
Name 3aH-Cyclopentacyclododecene-3a-carbonitrile, tetradecahydro-2-oxo-, (3aR*,13aR*)-
CAS Registry Number 113541-16-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H25NO
InChI InChI=1S/C16H25NO/c17-13-16-10-8-6-4-2-1-3-5-7-9-14(16)11-15(18)12-16/h14H,1-12H2/t14-,16+/m0/s1
InChIKey SIVRHJOVFDZUHQ-GOEBONIOSA-N
Molecular Weight 247.382 g/mol
SMILES [C@@]12(C#N)[C@](CC(C2)=O)(CCCCCCCCCC1)[H]
SPLASH splash10-0537-9530000000-a1c226b51e1c45a0ecea
Source of Spectrum H-70-1397-7
Synonyms (3aS,13aS)-2-oxotetradecahydro-3aH-cyclopenta[a]cyclododecene-3a-carbonitrile 14-oxo-cis-bicyclo[10.3.0]pentadecane-1-carbonitrile
Wiley ID 1250258