SpectraBase Spectrum ID |
57QKfTjSHek |
Name |
1,3-Dioxo-N-(p-tolyl)-2-indancarboxamide |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
279.089543280 u |
Formula |
C17H13NO3 |
InChI |
InChI=1S/C17H13NO3/c1-10-6-8-11(9-7-10)18-17(21)14-15(19)12-4-2-3-5-13(12)16(14)20/h2-9,14H,1H3,(H,18,21) |
InChIKey |
YFTZKTDNVMGDRZ-UHFFFAOYSA-N |
Molecular Weight |
279.295 g/mol |
SMILES |
C1(C(C(C=2C=CC=CC12)=O)C(=O)NC=1C=CC(=CC1)C)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.962776 |