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2-Methoxy-5-[(phenylmethyl)amino]cyclohexa-2,5-diene-1,4-dione
SpectraBase Compound ID 3GgtozqdssO
InChI InChI=1S/C14H13NO3/c1-18-14-8-12(16)11(7-13(14)17)15-9-10-5-3-2-4-6-10/h2-8,15H,9H2,1H3
InChIKey QBMHXTDVKGLWPY-UHFFFAOYSA-N
Mol Weight 243.26 g/mol
Molecular Formula C14H13NO3
Exact Mass 243.089543 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8MVTtaEpZzi
Name 2-Methoxy-5-[(phenylmethyl)amino]cyclohexa-2,5-diene-1,4-dione
Alternate Name(s) 2-(benzylamino)-5-methoxybenzo-1,4-quinone
Comments Less than 3 mono-isotopic peaks
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Formula C14H13NO3
InChI InChI=1S/C14H13NO3/c1-18-14-8-12(16)11(7-13(14)17)15-9-10-5-3-2-4-6-10/h2-8,15H,9H2,1H3
InChIKey QBMHXTDVKGLWPY-UHFFFAOYSA-N
Molecular Weight 243.262 g/mol
SMILES N(C1=CC(C(=CC1=O)OC)=O)Cc1ccccc1
SPLASH splash10-0006-9060000000-c22739835dd698747438
Source of Spectrum H-76-2948-11
Wiley ID 1246102