SpectraBase Spectrum ID |
6vr7sAY9Hx2 |
Name |
3-[1-(5-Methyl-4,5-dihydro-1,3-thiazol-2-yl)piperidin-2-yl]pyridine |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
261.129968798 u |
Formula |
C14H19N3S |
InChI |
InChI=1S/C14H19N3S/c1-11-9-16-14(18-11)17-8-3-2-6-13(17)12-5-4-7-15-10-12/h4-5,7,10-11,13H,2-3,6,8-9H2,1H3 |
InChIKey |
JHTSXDMFMRLXPI-UHFFFAOYSA-N |
Molecular Weight |
261.387 g/mol |
SMILES |
CC1CN=C(S1)N1C(C2=CN=CC=C2)CCCC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.942498 |