| SpectraBase Spectrum ID |
16qsg2j8Vh2 |
| Name |
2-Acetoxy-1,1,1-trichloro-4-(4-nitrophenyl)-4-butanone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
352.962455521 u |
| Formula |
C12H10Cl3NO5 |
| InChI |
InChI=1S/C12H10Cl3NO5/c1-7(17)21-11(12(13,14)15)6-10(18)8-2-4-9(5-3-8)16(19)20/h2-5,11H,6H2,1H3 |
| InChIKey |
VJYNFHDRZABBIO-UHFFFAOYSA-N |
| Molecular Weight |
354.573 g/mol |
| SMILES |
C1(=CC=C(C=C1)C(CC(OC(=O)C)C(Cl)(Cl)Cl)=O)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.952776 |
