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(CIS)/(TRANS)-N-PARA-COUMAROYL-3-O-METHYL-DOPAMINE;MIXTURE

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(CIS)/(TRANS)-N-PARA-COUMAROYL-3-O-METHYL-DOPAMINE;MIXTURE
SpectraBase Compound ID IAUHqqbGo0k
InChI InChI=1S/2C18H19NO4/c2*1-23-17-12-14(4-8-16(17)21)10-11-19-18(22)9-5-13-2-6-15(20)7-3-13/h2*2-9,12,20-21H,10-11H2,1H3,(H,19,22)/b9-5+;9-5-
InChIKey QGRWOEMSXXZLHO-YEYRGWEPSA-N
Mol Weight 626.71 g/mol
Molecular Formula C36H38N2O8
Exact Mass 626.262816 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HKSQIXtbDHn
Name (CIS)/(TRANS)-N-PARA-COUMAROYL-3-O-METHYL-DOPAMINE;MIXTURE
Compound Number CO MPOUND-#14+#15
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H38N2O8
InChI InChI=1S/2C18H19NO4/c2*1-23-17-12-14(4-8-16(17)21)10-11-19-18(22)9-5-13-2-6-15(20)7-3-13/h2*2-9,12,20-21H,10-11H2,1H3,(H,19,22)/b9-5+;9-5-
InChIKey QGRWOEMSXXZLHO-YEYRGWEPSA-N
Literature Reference Author J.C.HOLZBACH,L.M.X.LOPES
Literature Reference Citation MOLECULES,15,9462(2010)
Literature Reference DOI 10.3390/molecules15129462
Molecular Weight 626.706 g/mol
Sample ID 72805
Solvent DMSO-D6