| SpectraBase Compound ID | EOGib4QanLn |
|---|---|
| InChI | InChI=1S/C12H15ClN2O3/c1-9(16)14-6-7-15-12(17)8-18-11-4-2-10(13)3-5-11/h2-5H,6-8H2,1H3,(H,14,16)(H,15,17) |
| InChIKey | TWXOVAKWKRNSFO-UHFFFAOYSA-N |
| Mol Weight | 270.72 g/mol |
| Molecular Formula | C12H15ClN2O3 |
| Exact Mass | 270.07712 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2qlBB27v1Qz |
|---|---|
| Name | Fipexide-m ac P716 |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 270.077120048 u |
| Formula | C12H15ClN2O3 |
| InChI | InChI=1S/C12H15ClN2O3/c1-9(16)14-6-7-15-12(17)8-18-11-4-2-10(13)3-5-11/h2-5H,6-8H2,1H3,(H,14,16)(H,15,17) |
| InChIKey | TWXOVAKWKRNSFO-UHFFFAOYSA-N |
| SMILES | CC(NCCNC(COC1=CC=C(C=C1)Cl)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.903555 |