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2-Amino-3-[bis(p-methoxyphenyl)methyl]-1,4-naphthoquinone

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 Raman

2-Amino-3-[bis(p-methoxyphenyl)methyl]-1,4-naphthoquinone
SpectraBase Compound ID CIVAFvV0uPE
InChI InChI=1S/C25H21NO4/c1-29-17-11-7-15(8-12-17)21(16-9-13-18(30-2)14-10-16)22-23(26)25(28)20-6-4-3-5-19(20)24(22)27/h3-14,21H,26H2,1-2H3
InChIKey NAGSJIFZXRGYCA-UHFFFAOYSA-N
Mol Weight 399.45 g/mol
Molecular Formula C25H21NO4
Exact Mass 399.147058 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Bgl3IeVWYhK
Name 2-Amino-3-[bis(p-methoxyphenyl)methyl]-1,4-naphthoquinone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 399.147058156 u
Formula C25H21NO4
InChI InChI=1S/C25H21NO4/c1-29-17-11-7-15(8-12-17)21(16-9-13-18(30-2)14-10-16)22-23(26)25(28)20-6-4-3-5-19(20)24(22)27/h3-14,21H,26H2,1-2H3
InChIKey NAGSJIFZXRGYCA-UHFFFAOYSA-N
Molecular Weight 399.446 g/mol
SMILES NC1=C(C(C=2C=CC=CC2C1=O)=O)C(C=1C=CC(=CC1)OC)C=1C=CC(=CC1)OC