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SESCANDELIN_B
SpectraBase Compound ID 6vA1PKmwQq8
InChI InChI=1S/C11H10O5/c1-5-8(4-12)7-2-6(13)3-9(14)10(7)11(15)16-5/h2-3,12-14H,4H2,1H3
InChIKey SIGBMSMENCGPQO-UHFFFAOYSA-N
Mol Weight 222.2 g/mol
Molecular Formula C11H10O5
Exact Mass 222.052823 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FwUqCiSM1wI
Name SESCANDELIN_B
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H10O5
InChI InChI=1S/C11H10O5/c1-5-8(4-12)7-2-6(13)3-9(14)10(7)11(15)16-5/h2-3,12-14H,4H2,1H3
InChIKey SIGBMSMENCGPQO-UHFFFAOYSA-N
Literature Reference Author J.QI,C.L.SHAO,Z.Y.LI,L.S.GAN,X.M.FU,W.T.BIAN,H.Y.ZHAO,C.Y.WA NG
Literature Reference Citation J.NAT.PROD.,76,571(2013)
Literature Reference DOI 10.1021/np3007556
Molecular Weight 222.197 g/mol
Sample ID 42357
Solvent DMSO-D6