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ZRHFWWHBOTXKSH-UHFFFAOYSA-N
SpectraBase Compound ID DtCQhUdQ9rQ
InChI InChI=1S/C14H13ClN2O6/c1-5(18)22-4-8(23-6(2)19)7-3-17-12-9(7)13(20)10(15)11(16)14(12)21/h3,8,17H,4,16H2,1-2H3
InChIKey ZRHFWWHBOTXKSH-UHFFFAOYSA-N
Mol Weight 340.72 g/mol
Molecular Formula C14H13ClN2O6
Exact Mass 340.046214 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GgO91GjkA9y
Name SECOBATZELLINE_B_DIACETATE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H13ClN2O6
InChI InChI=1S/C14H13ClN2O6/c1-5(18)22-4-8(23-6(2)19)7-3-17-12-9(7)13(20)10(15)11(16)14(12)21/h3,8,17H,4,16H2,1-2H3
InChIKey ZRHFWWHBOTXKSH-UHFFFAOYSA-N
Literature Reference Author S.P.GUNASEKERA,P.J.MCCARTHY,R.E.LONGLEY,S.A.POMPONI,A.E.WRIG HT
Literature Reference Citation J.NAT.PROD.,62,1208(1999)
Literature Reference DOI 10.1021/np990177a
Molecular Weight 340.720 g/mol
Solvent DMSO-D6
Source File Reference UWMZ2553