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METHYL-[1-(13)-C]-OCTANOATE

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METHYL-[1-(13)-C]-OCTANOATE
SpectraBase Compound ID LDcbCM34EdS
InChI InChI=1S/C9H18O2/c1-3-4-5-6-7-8-9(10)11-2/h3-8H2,1-2H3/i9+1
InChIKey JGHZJRVDZXSNKQ-QBZHADDCSA-N
Mol Weight 159.23 g/mol
Molecular Formula C813CH18O2
Exact Mass 159.134035 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID iROWjKHrv9
Name METHYL-[1-(13)-C]-OCTANOATE
Compound Number 23
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C813CH18O2
InChI InChI=1S/C9H18O2/c1-3-4-5-6-7-8-9(10)11-2/h3-8H2,1-2H3/i9+1
InChIKey JGHZJRVDZXSNKQ-QBZHADDCSA-N
Literature Reference Author Y.SEKIYAMA,Y.FUJIMOTO,K.HASUMI,A.ENDO
Literature Reference Citation J.ORG.CHEM.,66,5649(2001)
Literature Reference DOI 10.1021/jo015614g
Molecular Weight 159.233 g/mol
Solvent CDCl3
Source File Reference UWVN24035