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9-Methyl-4-decenoic acid, methyl ester
SpectraBase Compound ID 9eeiOYlHp17
InChI InChI=1S/C12H22O2/c1-11(2)9-7-5-4-6-8-10-12(13)14-3/h4,6,11H,5,7-10H2,1-3H3/b6-4+
InChIKey UBDCQLSJTFOFKI-GQCTYLIASA-N
Mol Weight 198.31 g/mol
Molecular Formula C12H22O2
Exact Mass 198.16198 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4eBNVuFjPmk
Name 9-Methyl-4-decenoic acid, methyl ester
CAS Registry Number 74545-56-5
Comments ISOMER 2, REASSIGNED A.H.
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H22O2
InChI InChI=1S/C12H22O2/c1-11(2)9-7-5-4-6-8-10-12(13)14-3/h4,6,11H,5,7-10H2,1-3H3/b6-4+
InChIKey UBDCQLSJTFOFKI-GQCTYLIASA-N
Instrument Name Jeol FX-60
Literature Reference B.M. Trost, T.R. Verhoeven, J. Am. Chem. Soc. 102, 4730 (1980).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3