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cis-2-(2-Isopropoxycarbonyl)cyclohexane-1-carboxylic acid
SpectraBase Compound ID 9PLjowpdXy9
InChI InChI=1S/C11H18O4/c1-7(2)15-11(14)9-6-4-3-5-8(9)10(12)13/h7-9H,3-6H2,1-2H3,(H,12,13)/t8-,9+/m0/s1
InChIKey FGUDXPCDXVOUPE-DTWKUNHWSA-N
Mol Weight 214.26 g/mol
Molecular Formula C11H18O4
Exact Mass 214.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1PREbQkeG07
Name cis-2-(2-Isopropoxycarbonyl)cyclohexane-1-carboxylic acid
Alternate Name(s) (1S,2R)-2-(isopropoxycarbonyl)cyclohexanecarboxylic acid
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Formula C11H18O4
InChI InChI=1S/C11H18O4/c1-7(2)15-11(14)9-6-4-3-5-8(9)10(12)13/h7-9H,3-6H2,1-2H3,(H,12,13)/t8-,9+/m0/s1
InChIKey FGUDXPCDXVOUPE-DTWKUNHWSA-N
Molecular Weight 214.261 g/mol
SMILES OC([C@@]1([C@](C(OC(C)C)=O)(CCCC1)[H])[H])=O
SPLASH splash10-0a6r-1900000000-a0b24e4bf20907a43356
Source of Spectrum J-63-1196-0
Wiley ID 1213424