SpectraBase Spectrum ID |
BMGGTezIFO0 |
Name |
1-(2,3,4,5,6-Pentamethylbenzyl)-4-pipecoline |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
259.229999938 u |
Formula |
C18H29N |
InChI |
InChI=1S/C18H29N/c1-12-7-9-19(10-8-12)11-18-16(5)14(3)13(2)15(4)17(18)6/h12H,7-11H2,1-6H3 |
InChIKey |
VIEBCCVLKKHXIG-UHFFFAOYSA-N |
Molecular Weight |
259.437 g/mol |
SMILES |
C=1(C(=C(C(=C(C1C)C)C)C)C)CN1CCC(CC1)C |
Spectrum/Structure Validation Score (Raman) |
0.964625 |