SpectraBase Spectrum ID |
EJgPVHZxGlI |
Name |
3-Pyridineacetic acid, .alpha.-[(benzoyloxy)phenylmethylene]-, methyl ester |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
359.115758027 u |
Formula |
C22H17NO4 |
InChI |
InChI=1S/C22H17NO4/c1-26-22(25)19(18-13-8-14-23-15-18)20(16-9-4-2-5-10-16)27-21(24)17-11-6-3-7-12-17/h2-15H,1H3/b20-19- |
InChIKey |
YHMDHBPMVHHHAI-VXPUYCOJSA-N |
Molecular Weight |
359.381 g/mol |
SMILES |
C(\C(=C\(OC(=O)C1=CC=CC=C1)C=1C=CC=CC1)C=1C=NC=CC1)(=O)OC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.945241 |