SpectraBase Spectrum ID |
2R5y5UYsOtZ |
Name |
4-(3-Phenylpropyloxy)aniline |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
227.131014170 u |
Formula |
C15H17NO |
InChI |
InChI=1S/C15H17NO/c16-14-8-10-15(11-9-14)17-12-4-7-13-5-2-1-3-6-13/h1-3,5-6,8-11H,4,7,12,16H2 |
InChIKey |
TWHJRINTKADTKB-UHFFFAOYSA-N |
Molecular Weight |
227.307 g/mol |
SMILES |
C=1C(=CC=C(C1)OCCCC1=CC=CC=C1)N |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.817701 |