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4-[2-(Benzylpropylamino)ethyl]pyrocatechol, hydrochloride

View entire compound with spectra: 1 NMR, 1 FTIR, 1 Raman, and 1 UV-Vis

4-[2-(Benzylpropylamino)ethyl]pyrocatechol, hydrochloride
SpectraBase Compound ID 3zckKzXx3ao
InChI InChI=1S/C18H23NO2.ClH/c1-2-11-19(14-16-6-4-3-5-7-16)12-10-15-8-9-17(20)18(21)13-15;/h3-9,13,20-21H,2,10-12,14H2,1H3;1H
InChIKey MBNOEIBJFZCRPE-UHFFFAOYSA-N
Mol Weight 321.85 g/mol
Molecular Formula C18H24ClNO2
Exact Mass 321.149557 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 6Zz1DQBtI4a
Name 4-[2-(Benzylpropylamino)ethyl]pyrocatechol, hydrochloride
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 321.149556715 u
Formula C18H24ClNO2
InChI InChI=1S/C18H23NO2.ClH/c1-2-11-19(14-16-6-4-3-5-7-16)12-10-15-8-9-17(20)18(21)13-15;/h3-9,13,20-21H,2,10-12,14H2,1H3;1H
InChIKey MBNOEIBJFZCRPE-UHFFFAOYSA-N
Molecular Weight 321.848 g/mol
SMILES Cl.OC=1C(=CC=C(C1)CCN(CC=1C=CC=CC1)CCC)O
Spectrum/Structure Validation Score (Raman) 0.930184