SpectraBase Spectrum ID |
By776uiZK27 |
Name |
(E)-2-(3-Methoxycarbonylstyryl)pyridine |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
239.094628661 u |
Formula |
C15H13NO2 |
InChI |
InChI=1S/C15H13NO2/c1-18-15(17)13-6-4-5-12(11-13)8-9-14-7-2-3-10-16-14/h2-11H,1H3/b9-8+ |
InChIKey |
ZWCLBRUSVLVJLC-CMDGGOBGSA-N |
Molecular Weight |
239.274 g/mol |
SMILES |
C=1(C=CC=CN1)\C=C\C=1C=C(C=CC1)C(=O)OC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.890987 |