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Benzoic acid, 4-(1,2,3,4-tetrahydro-6,7-dimethoxy-2-isoquinolinyl)-
SpectraBase Compound ID 20WQjdNuRLx
InChI InChI=1S/C18H19NO4/c1-22-15-9-13-7-8-19-17(14(13)10-16(15)23-2)11-3-5-12(6-4-11)18(20)21/h3-6,9-10,17,19H,7-8H2,1-2H3,(H,20,21)
InChIKey KVGKBCFFKRIJJT-UHFFFAOYSA-N
Mol Weight 313.35 g/mol
Molecular Formula C18H19NO4
Exact Mass 313.131408 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cu4eY8olitP
Name Benzoic acid, 4-(1,2,3,4-tetrahydro-6,7-dimethoxy-2-isoquinolinyl)-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H19NO4
InChI InChI=1S/C18H19NO4/c1-22-15-9-13-7-8-19-17(14(13)10-16(15)23-2)11-3-5-12(6-4-11)18(20)21/h3-6,9-10,17,19H,7-8H2,1-2H3,(H,20,21)
InChIKey KVGKBCFFKRIJJT-UHFFFAOYSA-N
Molecular Weight 313.353 g/mol
SMILES N1CCc2cc(c(cc2C1c1ccc(C(=O)O)cc1)OC)OC
SPLASH splash10-0006-3922000000-47f7d049c4227191a9df
Synonyms 4-(6,7-Dimethoxy-1,2,3,4-tetrahydro-1-isoquinolinyl)benzoic acid 4-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)benzoic acid
Wiley ID 1455717