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Benzoic acid, 4-(1,2,3,4-tetrahydro-6,7-dimethoxy-2-isoquinolinyl)-

View entire compound with spectra: 1 NMR, and 1 MS (GC)

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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CgWjgxhtjn7
Name Benzoic acid, 4-(1,2,3,4-tetrahydro-6,7-dimethoxy-2-isoquinolinyl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 313.131408092 u
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 C=12C(NCCC2=CC(=C(C1)OC)OC)C=1C=CC(C(=O)O)=CC1