SpectraBase Spectrum ID |
3R6IMi1n6sy |
Name |
Pyridine, 1,2,3,6-tetrahydro-1,5-dimethyl-4-phenyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
187.136099551 u |
Formula |
C13H17N |
InChI |
InChI=1S/C13H17N/c1-11-10-14(2)9-8-13(11)12-6-4-3-5-7-12/h3-7H,8-10H2,1-2H3 |
InChIKey |
IWDDXAVDKOTQST-UHFFFAOYSA-N |
Molecular Weight |
187.286 g/mol |
SMILES |
C1=CC=CC=C1C=1CCN(CC1C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.884827 |