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1-(3,4-Dimethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-4,6-diol

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

1-(3,4-Dimethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-4,6-diol
SpectraBase Compound ID 2hqvsnDKDgb
InChI InChI=1S/C17H19NO4/c1-21-15-6-3-10(7-16(15)22-2)17-12-5-4-11(19)8-13(12)14(20)9-18-17/h3-8,14,17-20H,9H2,1-2H3
InChIKey PVGVGJHADRYNTJ-UHFFFAOYSA-N
Mol Weight 301.34 g/mol
Molecular Formula C17H19NO4
Exact Mass 301.131408 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID EjwvA3OOol2
Name 1-(3,4-Dimethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-4,6-diol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 301.131408092 u
Formula C17H19NO4
InChI InChI=1S/C17H19NO4/c1-21-15-6-3-10(7-16(15)22-2)17-12-5-4-11(19)8-13(12)14(20)9-18-17/h3-8,14,17-20H,9H2,1-2H3
InChIKey PVGVGJHADRYNTJ-UHFFFAOYSA-N
Molecular Weight 301.342 g/mol
SMILES C1=2C(NCC(C2C=C(C=C1)O)O)C=1C=C(OC)C(=CC1)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.942105