| SpectraBase Spectrum ID |
KLLfyt698OY |
| Name |
Ethyl .alpha.-fluoro-3-nitro-cinnamate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
239.059385965 u |
| Formula |
C11H10FNO4 |
| InChI |
InChI=1S/C11H10FNO4/c1-2-17-11(14)10(12)7-8-4-3-5-9(6-8)13(15)16/h3-7H,2H2,1H3/b10-7- |
| InChIKey |
FIHNPBNQWYGKLT-YFHOEESVSA-N |
| Molecular Weight |
239.202 g/mol |
| SMILES |
C1=C(C=CC=C1N(=O)=O)\C=C\(F)C(OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.909675 |
