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7-DIETHYLAMINO-2-OXO-2H-CHROMENE-3-CARBOXYLIC-ACID-2-(1,4,7,10,13-PENTAOXA-16-AZA-CYCLOOCTADEC-16-YL)-ETHYLESTER
SpectraBase Compound ID 9VQ4jb0laFY
InChI InChI=1S/C28H42N2O9/c1-3-30(4-2)24-6-5-23-21-25(28(32)39-26(23)22-24)27(31)38-12-9-29-7-10-33-13-15-35-17-19-37-20-18-36-16-14-34-11-8-29/h5-6,21-22H,3-4,7-20H2,1-2H3
InChIKey MSCVRYKYACUHAI-UHFFFAOYSA-N
Mol Weight 550.6 g/mol
Molecular Formula C28H42N2O9
Exact Mass 550.289031 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 62yjmgNrYrR
Name 7-DIETHYLAMINO-2-OXO-2H-CHROMENE-3-CARBOXYLIC-ACID-2-(1,4,7,10,13-PENTAOXA-16-AZA-CYCLOOCTADEC-16-YL)-ETHYLESTER
Compound Number 4B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H42N2O9
InChI InChI=1S/C28H42N2O9/c1-3-30(4-2)24-6-5-23-21-25(28(32)39-26(23)22-24)27(31)38-12-9-29-7-10-33-13-15-35-17-19-37-20-18-36-16-14-34-11-8-29/h5-6,21-22H,3-4,7-20H2,1-2H3
InChIKey MSCVRYKYACUHAI-UHFFFAOYSA-N
Literature Reference Author E.BRUNET,P.GARCIA-LOSADA,J.C.RODRIGUEZ-UBIS,O.JUANES
Literature Reference Citation CAN.J.CHEM.,80,169(2002)
Literature Reference DOI 10.1139/v02-006
Molecular Weight 550.649 g/mol
Solvent CDCl3
Source File Reference UWLU29826