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1-(4-Chlorophenyl)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinoline

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

1-(4-Chlorophenyl)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinoline
SpectraBase Compound ID IxkXxpdNEtb
InChI InChI=1S/C19H22ClNO2/c1-3-22-17-11-14-9-10-21-19(13-5-7-15(20)8-6-13)16(14)12-18(17)23-4-2/h5-8,11-12,19,21H,3-4,9-10H2,1-2H3
InChIKey WEKALSXFBRPZOT-UHFFFAOYSA-N
Mol Weight 331.84 g/mol
Molecular Formula C19H22ClNO2
Exact Mass 331.133907 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID W8V3JNiLnB
Name 1-(4-Chlorophenyl)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinoline
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 331.133906650 u
Formula C19H22ClNO2
InChI InChI=1S/C19H22ClNO2/c1-3-22-17-11-14-9-10-21-19(13-5-7-15(20)8-6-13)16(14)12-18(17)23-4-2/h5-8,11-12,19,21H,3-4,9-10H2,1-2H3
InChIKey WEKALSXFBRPZOT-UHFFFAOYSA-N
Molecular Weight 331.843 g/mol
SMILES C1=2C(NCCC2C=C(OCC)C(=C1)OCC)C=1C=CC(=CC1)Cl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.959256