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1-Oxo-2-(p-tolyl)-3-(p-nitrophenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxylic Acid
SpectraBase Compound ID 8awVxJGZbDU
InChI InChI=1S/C23H18N2O5/c1-14-6-10-16(11-7-14)24-21(15-8-12-17(13-9-15)25(29)30)20(23(27)28)18-4-2-3-5-19(18)22(24)26/h2-13,20-21H,1H3,(H,27,28)
InChIKey KCOUGRAWYMIVBW-UHFFFAOYSA-N
Mol Weight 402.41 g/mol
Molecular Formula C23H18N2O5
Exact Mass 402.121572 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8wxjhK5ISdW
Name 1-Oxo-2-(p-tolyl)-3-(p-nitrophenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxylic Acid
Alternate Name(s) 2-(4-Methylphenyl)-3-(4-nitrophenyl)-1-oxo-1,2,3,4-tetrahydro-4-isoquinolinecarboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H18N2O5
InChI InChI=1S/C23H18N2O5/c1-14-6-10-16(11-7-14)24-21(15-8-12-17(13-9-15)25(29)30)20(23(27)28)18-4-2-3-5-19(18)22(24)26/h2-13,20-21H,1H3,(H,27,28)
InChIKey KCOUGRAWYMIVBW-UHFFFAOYSA-N
Molecular Weight 402.406 g/mol
SMILES OC(C1C(N(C(c2c1cccc2)=O)c1ccc(cc1)C)c1ccc(cc1)N(=O)=O)=O
SPLASH splash10-0a4l-8942000000-03d747a319f1011499ff
Source of Spectrum AJ-43-189-4
Wiley ID 1593838