| SpectraBase Compound ID | EovPgpaNmD2 |
|---|---|
| InChI | InChI=1S/C12H8F7NO3/c13-10(14,11(15,16)17)9(21)20-4-3-6-1-2-7-8(5-6)23-12(18,19)22-7/h1-2,5H,3-4H2,(H,20,21) |
| InChIKey | OZKRIRZZVGRTRL-UHFFFAOYSA-N |
| Mol Weight | 347.19 g/mol |
| Molecular Formula | C12H8F7NO3 |
| Exact Mass | 347.03924 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | HdzcrPAMSxX |
|---|---|
| Name | Dfmdp P1192 |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 347.039240260 u |
| Formula | C12H8F7NO3 |
| InChI | InChI=1S/C12H8F7NO3/c13-10(14,11(15,16)17)9(21)20-4-3-6-1-2-7-8(5-6)23-12(18,19)22-7/h1-2,5H,3-4H2,(H,20,21) |
| InChIKey | OZKRIRZZVGRTRL-UHFFFAOYSA-N |
| Molecular Weight | 347.189 g/mol |
| SMILES | C1=C(C=C2C(=C1)OC(O2)(F)F)CCNC(=O)C(F)(F)C(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.815354 |