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PSEUDOCERALIDINONE_A
SpectraBase Compound ID 6RmGwqupgcP
InChI InChI=1S/C14H18Br2N2O3/c1-18(2)4-3-5-20-13-10(15)6-9(7-11(13)16)12-8-17-14(19)21-12/h6-7,12H,3-5,8H2,1-2H3,(H,17,19)/t12-/m1/s1
InChIKey ZNFKPSPBLHQVEJ-GFCCVEGCSA-N
Mol Weight 422.12 g/mol
Molecular Formula C14H18Br2N2O3
Exact Mass 419.968418 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C6E9GnJxtkl
Name PSEUDOCERALIDINONE_A
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H18Br2N2O3
InChI InChI=1S/C14H18Br2N2O3/c1-18(2)4-3-5-20-13-10(15)6-9(7-11(13)16)12-8-17-14(19)21-12/h6-7,12H,3-5,8H2,1-2H3,(H,17,19)/t12-/m1/s1
InChIKey ZNFKPSPBLHQVEJ-GFCCVEGCSA-N
Literature Reference Author T.D.TRAN,N.B.PHAM,G.FECHNER,J.N.A.HOOPER,R.J.QUINN
Literature Reference Citation J.NAT.PROD.,76,516(2013)
Literature Reference DOI 10.1021/np300648d
Molecular Weight 422.117 g/mol
Sample ID 42325
Solvent DMSO-D6