SpectraBase Spectrum ID |
6N4x7KxB1nY |
Name |
bis(2-Troponylamino)methane |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
254.105527697 u |
Formula |
C15H14N2O2 |
InChI |
InChI=1S/C15H14N2O2/c18-14-9-5-1-3-7-12(14)16-11-17-13-8-4-2-6-10-15(13)19/h1-10H,11H2,(H,16,18)(H,17,19) |
InChIKey |
GSZAUHBHEYAOSZ-UHFFFAOYSA-N |
Molecular Weight |
254.289 g/mol |
SMILES |
C1=CC(C(=CC=C1)NCNC1=CC=CC=CC1=O)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.82994 |