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N-butyl-3,4-dimethoxy-N-propylpenethylamine, hydrochloride

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 Raman

N-butyl-3,4-dimethoxy-N-propylpenethylamine, hydrochloride
SpectraBase Compound ID Ixu7gq5chDX
InChI InChI=1S/C17H29NO2.ClH/c1-5-7-12-18(11-6-2)13-10-15-8-9-16(19-3)17(14-15)20-4;/h8-9,14H,5-7,10-13H2,1-4H3;1H
InChIKey BDMRUEGWHDMESE-UHFFFAOYSA-N
Mol Weight 315.88 g/mol
Molecular Formula C17H30ClNO2
Exact Mass 315.196507 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID JLhkxzjUzdh
Name N-Butyl-3,4-dimethoxy-N-propylpenethylamine, hydrochloride
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 315.196506908 u
Formula C17H30ClNO2
InChI InChI=1S/C17H29NO2.ClH/c1-5-7-12-18(11-6-2)13-10-15-8-9-16(19-3)17(14-15)20-4;/h8-9,14H,5-7,10-13H2,1-4H3;1H
InChIKey BDMRUEGWHDMESE-UHFFFAOYSA-N
SMILES Cl.C=1C(=CC=C(C1OC)OC)CCN(CCCC)CCC
Spectrum/Structure Validation Score (Raman) 0.934553