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3-OXO-2-[(7-OXO-7H-BENZO-[DE]-ANTHRACEN-3-YLAMINO)-PHENYL-METHYL]-BUTYRIC-ACID-ETHYLESTER
SpectraBase Compound ID B48zkMgsbhj
InChI InChI=1S/C30H25NO4/c1-3-35-30(34)26(18(2)32)28(19-10-5-4-6-11-19)31-25-17-16-21-20-12-7-8-13-22(20)29(33)24-15-9-14-23(25)27(21)24/h4-17,26,28,31H,3H2,1-2H3
InChIKey MSQAPDUFVKGNLO-UHFFFAOYSA-N
Mol Weight 463.53 g/mol
Molecular Formula C30H25NO4
Exact Mass 463.178358 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D2wbMfN2YCt
Name 3-OXO-2-[(7-OXO-7H-BENZO-[DE]-ANTHRACEN-3-YLAMINO)-PHENYL-METHYL]-BUTYRIC-ACID-ETHYLESTER
Compound Number 3A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H25NO4
InChI InChI=1S/C30H25NO4/c1-3-35-30(34)26(18(2)32)28(19-10-5-4-6-11-19)31-25-17-16-21-20-12-7-8-13-22(20)29(33)24-15-9-14-23(25)27(21)24/h4-17,26,28,31H,3H2,1-2H3
InChIKey MSQAPDUFVKGNLO-UHFFFAOYSA-N
Literature Reference Author V.B.BOJINOV,I.K.GRABCHEV
Literature Reference Citation ORG.LETTERS,5,2185(2003)
Literature Reference DOI 10.1021/ol034687e
Molecular Weight 463.533 g/mol
Sample ID 48972
Solvent CDCl3