SpectraBase Spectrum ID |
GxmFZK2qRAi |
Name |
3,3-Dimethyl-1-[4-(5-methoxy-1,2,3,4-tetrahyronaphthalen-1-yl)-N-butyl]piperidine |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
329.271864750 u |
Formula |
C22H35NO |
InChI |
InChI=1S/C22H35NO/c1-22(2)14-8-16-23(17-22)15-5-4-9-18-10-6-12-20-19(18)11-7-13-21(20)24-3/h7,11,13,18H,4-6,8-10,12,14-17H2,1-3H3 |
InChIKey |
WEUUSZNKIJMTMI-UHFFFAOYSA-N |
Molecular Weight |
329.528 g/mol |
SMILES |
C12=C(C(CCCCN3CC(C)(C)CCC3)CCC1)C=CC=C2OC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.916805 |