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4,4-Dimethyl-3-methoxy-valeric acid, methyl ester
SpectraBase Compound ID Kvye3FXnLsk
InChI InChI=1S/C9H18O3/c1-9(2,3)7(11-4)6-8(10)12-5/h7H,6H2,1-5H3
InChIKey HQEFFZJXHQHDGN-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 HHbW4vVu2UB
Name 4,4-Dimethyl-3-methoxy-valeric acid, methyl ester
CAS Registry Number 58219-54-8
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C9H18O3
InChI InChI=1S/C9H18O3/c1-9(2,3)7(11-4)6-8(10)12-5/h7H,6H2,1-5H3
InChIKey HQEFFZJXHQHDGN-UHFFFAOYSA-N
Instrument Name Bruker HX-90
Literature Reference D.E. James, J.K. Stille, J. Org. Chem. 41, 1504 (1976).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3