| SpectraBase Spectrum ID |
1wlJD15WRf2 |
| Name |
3-Chlorobenzoic acid, 2-nitro-5-fluorophenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
295.004763568 u |
| Formula |
C13H7ClFNO4 |
| InChI |
InChI=1S/C13H7ClFNO4/c14-9-3-1-2-8(6-9)13(17)20-12-7-10(15)4-5-11(12)16(18)19/h1-7H |
| InChIKey |
SSRSDIPPPNHLEQ-UHFFFAOYSA-N |
| Molecular Weight |
295.653 g/mol |
| SMILES |
C1=C(C=CC=C1Cl)C(=O)OC1=C(C=CC(=C1)F)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.933875 |
