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methyl 2,2,4-trimethylhexanoate

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methyl 2,2,4-trimethylhexanoate
SpectraBase Compound ID 5KaAWLeM9GH
InChI InChI=1S/C10H20O2/c1-6-8(2)7-10(3,4)9(11)12-5/h8H,6-7H2,1-5H3
InChIKey RGTXZERTJLCDQR-UHFFFAOYSA-N
Mol Weight 172.27 g/mol
Molecular Formula C10H20O2
Exact Mass 172.14633 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GCe8RNmXZWg
Name 2,2,4-Trimethyl-hexanoic acid, methyl ester
CAS Registry Number 63399-65-5
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C10H20O2
InChI InChI=1S/C10H20O2/c1-6-8(2)7-10(3,4)9(11)12-5/h8H,6-7H2,1-5H3
InChIKey RGTXZERTJLCDQR-UHFFFAOYSA-N
Instrument Name Bruker HX-90
Literature Reference V.I. Dostovalova, A.B. Terentev, Org. Magn. Resonance 21, 11 (1983).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CCl4