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3-Ethyl-heptanoic acid, methyl ester

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3-Ethyl-heptanoic acid, methyl ester
SpectraBase Compound ID 3QRYALiMHyc
InChI InChI=1S/C10H20O2/c1-4-6-7-9(5-2)8-10(11)12-3/h9H,4-8H2,1-3H3
InChIKey ZYBYBYVTJKWBIJ-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 A3AlwHBndX0
Name 3-Ethyl-heptanoic acid, methyl ester
CAS Registry Number 64226-53-5
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C10H20O2
InChI InChI=1S/C10H20O2/c1-4-6-7-9(5-2)8-10(11)12-3/h9H,4-8H2,1-3H3
InChIKey ZYBYBYVTJKWBIJ-UHFFFAOYSA-N
Instrument Name Bruker HX-90
Literature Reference P. Hofmann, Chemiker-Zeitung 105, 311 (1981).
NMR Standard TMS Ext.
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent not reported