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(+/-)-(1S*,3S*)-3-HYDROXYMETHYL-5-OXO-CYCLOHEXYL-CARBOXYLIC-ACID
SpectraBase Compound ID 92C8GQPzeBp
InChI InChI=1S/C8H12O4/c9-4-5-1-6(8(11)12)3-7(10)2-5/h5-6,9H,1-4H2,(H,11,12)/t5-,6-/m0/s1
InChIKey AWEIERBVWHIOAF-WDSKDSINSA-N
Mol Weight 172.18 g/mol
Molecular Formula C8H12O4
Exact Mass 172.073559 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KOLUrBWPC7n
Name (+/-)-(1S*,3S*)-3-HYDROXYMETHYL-5-OXO-CYCLOHEXYL-CARBOXYLIC-ACID
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H12O4
InChI InChI=1S/C8H12O4/c9-4-5-1-6(8(11)12)3-7(10)2-5/h5-6,9H,1-4H2,(H,11,12)/t5-,6-/m0/s1
InChIKey AWEIERBVWHIOAF-WDSKDSINSA-N
Literature Reference Author K.BOEHM,E.GOESSINGER,R.MUELLER
Literature Reference Citation TETRAHEDRON,45,1391(1989)
Literature Reference DOI 10.1016/0040-4020(89)80137-1
Molecular Weight 172.181 g/mol
Solvent CD3OD
Source File Reference UWCS12916