SpectraBase Spectrum ID |
55AaNMlc4lp |
Name |
Cyclopentyl-[1-(4-methoxyphenyl)ethyl]amine |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
219.162314299 u |
Formula |
C14H21NO |
InChI |
InChI=1S/C14H21NO/c1-11(15-13-5-3-4-6-13)12-7-9-14(16-2)10-8-12/h7-11,13,15H,3-6H2,1-2H3 |
InChIKey |
XOJAXZXFUZIBSO-UHFFFAOYSA-N |
Molecular Weight |
219.328 g/mol |
SMILES |
C1(NC(C)C=2C=CC(=CC2)OC)CCCC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.8928 |