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VALONEIC-ACID-DILACTONE
SpectraBase Compound ID ARpRfyYtks5
InChI InChI=1S/C21H10O13/c22-7-2-6(19(28)29)16(15(27)12(7)24)32-9-3-5-11-10-4(20(30)34-18(11)14(9)26)1-8(23)13(25)17(10)33-21(5)31/h1-3,22-27H,(H,28,29)
InChIKey BPAOAXAAABIQKR-UHFFFAOYSA-N
Mol Weight 470.3 g/mol
Molecular Formula C21H10O13
Exact Mass 470.01214 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5Vl0MKic1Lg
Name VALONEIC-ACID-DILACTONE
Compound Number 13
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H10O13
InChI InChI=1S/C21H10O13/c22-7-2-6(19(28)29)16(15(27)12(7)24)32-9-3-5-11-10-4(20(30)34-18(11)14(9)26)1-8(23)13(25)17(10)33-21(5)31/h1-3,22-27H,(H,28,29)
InChIKey BPAOAXAAABIQKR-UHFFFAOYSA-N
Literature Reference Author C.C.WYREPKOWSKI,D.L.M.G.DACOSTA,A.P.SINHORIN,W.VILEGAS,R.A.D EGRANDIS,F.A.RESENDE
Literature Reference Citation MOLECULES,19,16039(2014)
Literature Reference DOI 10.3390/molecules191016039
Molecular Weight 470.303 g/mol
Solvent DMSO-D6
Source File Reference UWLU81487