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5-(4'-Isopropoxy-5'-methoxynaphthalen-1'-yl)-3,4-dihydroisoquinolin-8-ol
SpectraBase Compound ID 1lrCeHDAloH
InChI InChI=1S/C23H23NO3/c1-14(2)27-22-10-8-16(18-5-4-6-21(26-3)23(18)22)15-7-9-20(25)19-13-24-12-11-17(15)19/h4-10,13-14,25H,11-12H2,1-3H3
InChIKey QSXDKPKQECLMLL-UHFFFAOYSA-N
Mol Weight 361.44 g/mol
Molecular Formula C23H23NO3
Exact Mass 361.167794 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LOBwNKFjKFF
Name 5-(4'-Isopropoxy-5'-methoxynaphthalen-1'-yl)-3,4-dihydroisoquinolin-8-ol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 361.167793602 u
Formula C23H23NO3
InChI InChI=1S/C23H23NO3/c1-14(2)27-22-10-8-16(18-5-4-6-21(26-3)23(18)22)15-7-9-20(25)19-13-24-12-11-17(15)19/h4-10,13-14,25H,11-12H2,1-3H3
InChIKey QSXDKPKQECLMLL-UHFFFAOYSA-N
Molecular Weight 361.441 g/mol
SMILES C1(C=2C3=C(C=NCC3)C(=CC2)O)=C2C(C(OC)=CC=C2)=C(C=C1)OC(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.916896