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ZEFBETAINE;#2;4,5-DIHYDRO-2,10-DIHYDROXY-9-METHOXY-PYRROLO-[3,2,1-DE]-PHENANTHRIDIUM-HYDROXIDE;INNER-SALT
SpectraBase Compound ID 4lHQTLG0E1A
InChI InChI=1S/C16H13NO3/c1-20-15-5-10-8-17-3-2-9-4-11(18)6-13(16(9)17)12(10)7-14(15)19/h4-8,18H,2-3H2,1H3
InChIKey KAEIXCUGLNXMQA-UHFFFAOYSA-N
Mol Weight 267.28 g/mol
Molecular Formula C16H13NO3
Exact Mass 267.089543 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3xIrUQSufQa
Name ZEFBETAINE;#2;4,5-DIHYDRO-2,10-DIHYDROXY-9-METHOXY-PYRROLO-[3,2,1-DE]-PHENANTHRIDIUM-HYDROXIDE;INNER-SALT
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H13NO3
InChI InChI=1S/C16H13NO3/c1-20-15-5-10-8-17-3-2-9-4-11(18)6-13(16(9)17)12(10)7-14(15)19/h4-8,18H,2-3H2,1H3
InChIKey KAEIXCUGLNXMQA-UHFFFAOYSA-N
Literature Reference Author A.H.ABOU-DONIA,A.A.ABIB,A.S.E.DIN,A.EVIDENTE,M.GABER,A.SCOPA
Literature Reference Citation PHYTOCHEM.,31,2139(1992)
Literature Reference DOI 10.1016/0031-9422(92)80381-N
Molecular Weight 267.284 g/mol
Solvent CD3OD:CD3COOD=3:1
Source File Reference UWVN6156