SpectraBase Spectrum ID |
29PdOOwjHvi |
Name |
1,2,3,6-Tetrahydropyridine, 4-[3,4-dimethoxyphenyl]- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
219.125928789 u |
Formula |
C13H17NO2 |
InChI |
InChI=1S/C13H17NO2/c1-15-12-4-3-11(9-13(12)16-2)10-5-7-14-8-6-10/h3-5,9,14H,6-8H2,1-2H3 |
InChIKey |
LBRPLHNBPFDAHO-UHFFFAOYSA-N |
Molecular Weight |
219.284 g/mol |
SMILES |
C1=C(C(=CC=C1C=1CCNCC1)OC)OC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.971114 |