| SpectraBase Spectrum ID |
1JQOxl1rWQV |
| Name |
4-(2-Aminoethoxy)benzonitrile, N,N-diacetyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
246.100442316 u |
| Formula |
C13H14N2O3 |
| InChI |
InChI=1S/C13H14N2O3/c1-10(16)15(11(2)17)7-8-18-13-5-3-12(9-14)4-6-13/h3-6H,7-8H2,1-2H3 |
| InChIKey |
VAEIKRDAELPFQB-UHFFFAOYSA-N |
| Molecular Weight |
246.266 g/mol |
| SMILES |
C(N(C(=O)C)C(=O)C)COC1=CC=C(C=C1)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.848267 |
