SpectraBase Spectrum ID |
KKzNQUIzR9C |
Name |
[1-(2-Methyl-3-phenoxypropyl)piperidin-4-yl]diphenylmethanol |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
415.251129305 u |
Formula |
C28H33NO2 |
InChI |
InChI=1S/C28H33NO2/c1-23(22-31-27-15-9-4-10-16-27)21-29-19-17-26(18-20-29)28(30,24-11-5-2-6-12-24)25-13-7-3-8-14-25/h2-16,23,26,30H,17-22H2,1H3 |
InChIKey |
JRTVCNLTPDVGMR-UHFFFAOYSA-N |
Molecular Weight |
415.577 g/mol |
SMILES |
C(O)(C1=CC=CC=C1)(C1=CC=CC=C1)C1CCN(CC1)CC(COC1=CC=CC=C1)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.846061 |