| SpectraBase Spectrum ID |
HdCwNKA5dF9 |
| Name |
Glutaric acid, 2,2-dichloroethyl 3-nitrophenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
349.011992537 u |
| Formula |
C13H13Cl2NO6 |
| InChI |
InChI=1S/C13H13Cl2NO6/c14-11(15)8-21-12(17)5-2-6-13(18)22-10-4-1-3-9(7-10)16(19)20/h1,3-4,7,11H,2,5-6,8H2 |
| InChIKey |
PWJVDPGQOPWVOM-UHFFFAOYSA-N |
| Molecular Weight |
350.154 g/mol |
| SMILES |
C(CCC(OCC(Cl)Cl)=O)C(OC1=CC=CC(=C1)N(=O)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.958703 |
