| SpectraBase Spectrum ID |
1mm56gubKxZ |
| Name |
Glutaric acid, 2-chloro-6-fluorophenyl 3-nitrobenzyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
395.057193064 u |
| Formula |
C18H15ClFNO6 |
| InChI |
InChI=1S/C18H15ClFNO6/c19-14-6-2-7-15(20)18(14)27-17(23)9-3-8-16(22)26-11-12-4-1-5-13(10-12)21(24)25/h1-2,4-7,10H,3,8-9,11H2 |
| InChIKey |
YGFDSOFEVKGBLX-UHFFFAOYSA-N |
| Molecular Weight |
395.770 g/mol |
| SMILES |
C(CCC(OC1=C(C=CC=C1F)Cl)=O)C(OCC=1C=CC=C(N(=O)=O)C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.947043 |
