| SpectraBase Spectrum ID |
Cj71TaZc4Kx |
| Name |
Acetic acid, (5-chloro-2-nitrophenyl)methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
229.014185438 u |
| Formula |
C9H8ClNO4 |
| InChI |
InChI=1S/C9H8ClNO4/c1-6(12)15-5-7-4-8(10)2-3-9(7)11(13)14/h2-4H,5H2,1H3 |
| InChIKey |
CXXIIBNSKGJPIM-UHFFFAOYSA-N |
| Molecular Weight |
229.619 g/mol |
| SMILES |
C1=C(C=C(C(=C1)N(=O)=O)COC(=O)C)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.821693 |
