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1-p-Methoxyphenyl-3-butylamine; 3-(4-methoxyphenyl)-1-methylpropylamine; benzenepropanamine, 4-methoxy-alpha-methyl-
SpectraBase Compound ID BY5XJAsmEkb
InChI InChI=1S/C11H17NO/c1-9(12)3-4-10-5-7-11(13-2)8-6-10/h5-9H,3-4,12H2,1-2H3
InChIKey JMHAKVPFYWWNOW-UHFFFAOYSA-N
Mol Weight 179.26 g/mol
Molecular Formula C11H17NO
Exact Mass 179.131014 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID B7hPcUwxDXm
Name 1-p-Methoxyphenyl-3-butylamine; 3-(4-methoxyphenyl)-1-methylpropylamine; benzenepropanamine, 4-methoxy-alpha-methyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 179.131014170 u
Formula C11H17NO
InChI InChI=1S/C11H17NO/c1-9(12)3-4-10-5-7-11(13-2)8-6-10/h5-9H,3-4,12H2,1-2H3
InChIKey JMHAKVPFYWWNOW-UHFFFAOYSA-N
Molecular Weight 179.263 g/mol
SMILES NC(CCC1=CC=C(C=C1)OC)C
Spectrum/Structure Validation Score (Raman) 0.99394