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 |