| SpectraBase Spectrum ID |
3PbHSekUJoc |
| Name |
Acetic acid, 2-(2-bromoacetyl)-5-diethylaminophenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
327.047006441 u |
| Formula |
C14H18BrNO3 |
| InChI |
InChI=1S/C14H18BrNO3/c1-4-16(5-2)11-6-7-12(13(18)9-15)14(8-11)19-10(3)17/h6-8H,4-5,9H2,1-3H3 |
| InChIKey |
BTJOSEOFZBARAN-UHFFFAOYSA-N |
| Molecular Weight |
328.206 g/mol |
| SMILES |
CCN(CC)C1=CC=C(C(CBr)=O)C(=C1)OC(C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.917754 |
