| SpectraBase Spectrum ID |
4NXk6pX9DQU |
| Name |
Carbonic acid, ethyl 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 |
229.038650520 u |
| Formula |
C9H8FNO5 |
| InChI |
InChI=1S/C9H8FNO5/c1-2-15-9(12)16-8-5-6(10)3-4-7(8)11(13)14/h3-5H,2H2,1H3 |
| InChIKey |
VBGZJAOJZNJVOU-UHFFFAOYSA-N |
| Molecular Weight |
229.163 g/mol |
| SMILES |
C(C)OC(=O)OC1=C(C=CC(=C1)F)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.962199 |
