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trans-11-Oxobicyclo[4.4.1]undecan-3-carboxylic acid
SpectraBase Compound ID LVk6LCzPjZ4
InChI InChI=1S/C12H18O3/c13-11-8-3-1-2-4-9(11)7-10(6-5-8)12(14)15/h8-10H,1-7H2,(H,14,15)/t8-,9-,10?/m1/s1
InChIKey COGDXESVPNYZEM-MGRQHWMJSA-N
Mol Weight 210.27 g/mol
Molecular Formula C12H18O3
Exact Mass 210.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1gGfuAnfbLn
Name trans-11-Oxobicyclo[4.4.1]undecan-3-carboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O3
InChI InChI=1S/C12H18O3/c13-11-8-3-1-2-4-9(11)7-10(6-5-8)12(14)15/h8-10H,1-7H2,(H,14,15)/t8-,9-,10?/m1/s1
InChIKey COGDXESVPNYZEM-MGRQHWMJSA-N
Molecular Weight 210.273 g/mol
SMILES OC(C1C[C@@]2(C([C@@](CC1)(CCCC2)[H])=O)[H])=O
SPLASH splash10-03di-0940000000-5d5a129b5ad32fa42fe6
Source of Spectrum C-116-4187-14
Synonyms (1R,6R)-11-oxobicyclo[4.4.1]undecane-3-carboxylic acid
Wiley ID 1209313