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[2-(2)-H-(2)]-ETHYL-OCTANOATE;DOUBLY-LABELED

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[2-(2)-H-(2)]-ETHYL-OCTANOATE;DOUBLY-LABELED
SpectraBase Compound ID Eg3TdyRzQ25
InChI InChI=1S/C10H20O2/c1-3-5-6-7-8-9-10(11)12-4-2/h3-9H2,1-2H3/i9D2
InChIKey YYZUSRORWSJGET-KNXIQCGSSA-N
Mol Weight 174.28 g/mol
Molecular Formula C10H182H2O2
Exact Mass 174.158883 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AdeozDXjIHj
Name [2-(2)-H-(2)]-ETHYL-OCTANOATE;DOUBLY-LABELED
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C10H182H2O2
InChI InChI=1S/C10H20O2/c1-3-5-6-7-8-9-10(11)12-4-2/h3-9H2,1-2H3/i9D2
InChIKey YYZUSRORWSJGET-KNXIQCGSSA-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 174.280 g/mol
Solvent CDCl3
Source File Reference UWVN24017