| SpectraBase Spectrum ID |
B1k9JajMX6U |
| Name |
Acetic acid, 2-acetyl-5-diethylaminophenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
249.136493473 u |
| Formula |
C14H19NO3 |
| InChI |
InChI=1S/C14H19NO3/c1-5-15(6-2)12-7-8-13(10(3)16)14(9-12)18-11(4)17/h7-9H,5-6H2,1-4H3 |
| InChIKey |
QDGINPIVZXMRFF-UHFFFAOYSA-N |
| Molecular Weight |
249.310 g/mol |
| SMILES |
CCN(CC)C1=CC=C(C(C)=O)C(=C1)OC(C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.958319 |
