| SpectraBase Spectrum ID |
G6wNRBhyBiG |
| Name |
2-[2-[(4-Chloroanilino)-oxomethyl]phenoxy]propanoic acid ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
347.092435760 u |
| Formula |
C18H18ClNO4 |
| InChI |
InChI=1S/C18H18ClNO4/c1-3-23-18(22)12(2)24-16-7-5-4-6-15(16)17(21)20-14-10-8-13(19)9-11-14/h4-12H,3H2,1-2H3,(H,20,21) |
| InChIKey |
MPPDCGSLCSPZQG-UHFFFAOYSA-N |
| Molecular Weight |
347.798 g/mol |
| SMILES |
C(C1=C(OC(C(=O)OCC)C)C=CC=C1)(NC=1C=CC(=CC1)Cl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.807188 |
![2-[2-[(4-Chloroanilino)-oxomethyl]phenoxy]propanoic acid ethyl ester](/api/spectrum/G6wNRBhyBiG/structure.png?h=300&w=458 "2-[2-[(4-Chloroanilino)-oxomethyl]phenoxy]propanoic acid ethyl ester")
