SpectraBase Spectrum ID |
7i5a14jkAMu |
Name |
2-(3-Tert-butyl-1-bicyclo[1.1.1]pentanyl)pyridine |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
201.151749616 u |
Formula |
C14H19N |
InChI |
InChI=1S/C14H19N/c1-12(2,3)14-8-13(9-14,10-14)11-6-4-5-7-15-11/h4-7H,8-10H2,1-3H3 |
InChIKey |
SCKKFJCZRGVEDE-UHFFFAOYSA-N |
Molecular Weight |
201.313 g/mol |
SMILES |
C12(CC(C2)(C=2N=CC=CC2)C1)C(C)(C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.911563 |