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4-(1-Aminoanthraquinon-2-ylcarboxamido)phenyl hexanoate
SpectraBase Compound ID 6eYqR4rgpOp
InChI InChI=1S/C27H24N2O5/c1-2-3-4-9-22(30)34-17-12-10-16(11-13-17)29-27(33)21-15-14-20-23(24(21)28)26(32)19-8-6-5-7-18(19)25(20)31/h5-8,10-15H,2-4,9,28H2,1H3,(H,29,33)
InChIKey VTBXILTZMPDNIX-UHFFFAOYSA-N
Mol Weight 456.5 g/mol
Molecular Formula C27H24N2O5
Exact Mass 456.168522 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IoctTgYdMvu
Name 4-(1-AMINOANTHRAQUINON-2-YLCARBOXAMIDO)PHENYL HEXANOATE
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Formula C27H24N2O5
InChI InChI=1S/C27H24N2O5/c1-2-3-4-9-22(30)34-17-12-10-16(11-13-17)29-27(33)21-15-14-20-23(24(21)28)26(32)19-8-6-5-7-18(19)25(20)31/h5-8,10-15H,2-4,9,28H2,1H3,(H,29,33)
InChIKey VTBXILTZMPDNIX-UHFFFAOYSA-N
Molecular Weight 456.1679
SMILES Nc1c(C(Nc2ccc(OC(CCCCC)=O)cc2)=O)ccc2c1C(c1c(C2=O)cccc1)=O
SPLASH splash10-0udi-7690000000-108fee10456450307f16
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany