| SpectraBase Spectrum ID |
H6vriEAG5Dq |
| Name |
Acetic acid, 4-[2-(acetylamino)-3-oxobutyl]phenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
263.115758027 u |
| Formula |
C14H17NO4 |
| InChI |
InChI=1S/C14H17NO4/c1-9(16)14(15-10(2)17)8-12-4-6-13(7-5-12)19-11(3)18/h4-7,14H,8H2,1-3H3,(H,15,17) |
| InChIKey |
WTEMYUWYDPNDCL-UHFFFAOYSA-N |
| Molecular Weight |
263.293 g/mol |
| SMILES |
C1=C(C=CC(=C1)CC(C(C)=O)NC(C)=O)OC(C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.974575 |
![Acetic acid, 4-[2-(acetylamino)-3-oxobutyl]phenyl ester](/api/spectrum/H6vriEAG5Dq/structure.png?h=300&w=458 "Acetic acid, 4-[2-(acetylamino)-3-oxobutyl]phenyl ester")
