SpectraBase Spectrum ID |
JmYJv9hO5yU |
Name |
dl-N-Pyrid-2-yl-phenylglycinethylester |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
256.121177761 u |
Formula |
C15H16N2O2 |
InChI |
InChI=1S/C15H16N2O2/c1-2-19-15(18)14(12-8-4-3-5-9-12)17-13-10-6-7-11-16-13/h3-11,14H,2H2,1H3,(H,16,17) |
InChIKey |
PPXMPMYAXBIICV-UHFFFAOYSA-N |
Molecular Weight |
256.305 g/mol |
SMILES |
C(C1=CC=CC=C1)(NC1=CC=CC=N1)C(OCC)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.892209 |