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3-Benzylamino-2-benzyloxycarbonyl-1,4-benzoquinone
SpectraBase Compound ID 4nwZqe6KNiO
InChI InChI=1S/C21H17NO4/c23-17-11-12-18(24)20(22-13-15-7-3-1-4-8-15)19(17)21(25)26-14-16-9-5-2-6-10-16/h1-12,22H,13-14H2
InChIKey LQAFXRPKXFRREX-UHFFFAOYSA-N
Mol Weight 347.37 g/mol
Molecular Formula C21H17NO4
Exact Mass 347.115758 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2VtA6kvC912
Name 3-Benzylamino-2-benzyloxycarbonyl-1,4-benzoquinone
Appearance Orange solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H17NO4
InChI InChI=1S/C21H17NO4/c23-17-11-12-18(24)20(22-13-15-7-3-1-4-8-15)19(17)21(25)26-14-16-9-5-2-6-10-16/h1-12,22H,13-14H2
InChIKey LQAFXRPKXFRREX-UHFFFAOYSA-N
Instrument Name Finnigan MAT 90
Ionization Type EI
Literature Reference DOI 10.1021/np0106541
Molecular Weight 347.370 g/mol
SMILES N(Cc1ccccc1)C1=C(C(C=CC1=O)=O)C(=O)OCc1ccccc1
SPLASH splash10-0006-9000000000-27961a4147fe390bbafd
Source of Spectrum G4-65-727-6
Wiley ID 1883661