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METHYL-3-HYDROXY-3,4,4-TRIMETHYLPENTANOATE

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METHYL-3-HYDROXY-3,4,4-TRIMETHYLPENTANOATE
SpectraBase Compound ID KVEEqbjibQy
InChI InChI=1S/C9H18O3/c1-8(2,3)9(4,11)6-7(10)12-5/h11H,6H2,1-5H3
InChIKey WBIOPQSESLJAPN-UHFFFAOYSA-N
Mol Weight 174.24 g/mol
Molecular Formula C9H18O3
Exact Mass 174.125594 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3Eg8A6WECyd
Name METHYL-3-HYDROXY-3,4,4-TRIMETHYLPENTANOATE
Compound Number 3P
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H18O3
InChI InChI=1S/C9H18O3/c1-8(2,3)9(4,11)6-7(10)12-5/h11H,6H2,1-5H3
InChIKey WBIOPQSESLJAPN-UHFFFAOYSA-N
Literature Reference Author S.E.DENMARK,Y.FAN
Literature Reference Citation J.AM.CHEM.SOC.,124,4233(2002)
Literature Reference DOI 10.1021/ja025670e
Molecular Weight 174.240 g/mol
Sample ID 49845
Solvent CDCl3