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(2E,4S,12R)-4-HYDROXY-2-TRIDECEN-12-OLIDE;(E)-HOMOPATULOLIDE_C
SpectraBase Compound ID EcG2SwouJHn
InChI InChI=1S/C13H22O3/c1-11-7-5-3-2-4-6-8-12(14)9-10-13(15)16-11/h9-12,14H,2-8H2,1H3/b10-9+/t11-,12+/m1/s1
InChIKey ROCOGOCHPVSVCA-ZGFRAZBVSA-N
Mol Weight 226.32 g/mol
Molecular Formula C13H22O3
Exact Mass 226.156895 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2qYqdOQXyT5
Name (2E,4S,12R)-4-HYDROXY-2-TRIDECEN-12-OLIDE;(E)-HOMOPATULOLIDE_C
Compound Number 1 9EC
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H22O3
InChI InChI=1S/C13H22O3/c1-11-7-5-3-2-4-6-8-12(14)9-10-13(15)16-11/h9-12,14H,2-8H2,1H3/b10-9+/t11-,12+/m1/s1
InChIKey ROCOGOCHPVSVCA-ZGFRAZBVSA-N
Literature Reference Author F.M.C.LEEMHUIS,L.THIJS,B.ZWANENBURG
Literature Reference Citation J.ORG.CHEM.,58,7170(1993)
Literature Reference DOI 10.1021/jo00077a047
Molecular Weight 226.316 g/mol
Solvent CDCl3
Source File Reference UWMZ1461