| SpectraBase Spectrum ID |
5Egsc0piwer |
| Name |
2-(Diethylcarbamoyl)-2-methyl-1,3-indandione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
259.120843408 u |
| Formula |
C15H17NO3 |
| InChI |
InChI=1S/C15H17NO3/c1-4-16(5-2)14(19)15(3)12(17)10-8-6-7-9-11(10)13(15)18/h6-9H,4-5H2,1-3H3 |
| InChIKey |
MCCVEGGLXPEFOZ-UHFFFAOYSA-N |
| Molecular Weight |
259.305 g/mol |
| SMILES |
C(N(CC)CC)(C1(C(C2=CC=CC=C2C1=O)=O)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.930815 |
