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(+)-12-CHLORO-3-BETA-ETHOXY-2,3-DIHYDRO-8-BETA-(HYDROXYMETHYL)-6-METHYLERGOLIN-2-ONE
SpectraBase Compound ID 40DnU6ZrVh4
InChI InChI=1S/C18H23ClN2O3/c1-3-24-18-7-14-11(6-10(9-22)8-21(14)2)15-12(19)4-5-13(16(15)18)20-17(18)23/h4-5,10-11,14,22H,3,6-9H2,1-2H3,(H,20,23)/t10-,11?,14?,18-/m1/s1
InChIKey WJAXXFCEEIFFBT-ZFISXLRFSA-N
Mol Weight 350.85 g/mol
Molecular Formula C18H23ClN2O3
Exact Mass 350.13972 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9mxVizc3O9n
Name (+)-12-CHLORO-3-BETA-ETHOXY-2,3-DIHYDRO-8-BETA-(HYDROXYMETHYL)-6-METHYLERGOLIN-2-ONE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H23ClN2O3
InChI InChI=1S/C18H23ClN2O3/c1-3-24-18-7-14-11(6-10(9-22)8-21(14)2)15-12(19)4-5-13(16(15)18)20-17(18)23/h4-5,10-11,14,22H,3,6-9H2,1-2H3,(H,20,23)/t10-,11?,14?,18-/m1/s1
InChIKey WJAXXFCEEIFFBT-ZFISXLRFSA-N
Literature Reference Author K.SEIFERT,N.M.PHUONG,B.R.VINCENT
Literature Reference Citation HELV.CHIM.ACTA,75,288(1992)
Literature Reference DOI 10.1002/hlca.19920750125
Molecular Weight 350.845 g/mol
Solvent CD3OD
Source File Reference UWCS6310