| SpectraBase Compound ID | JSqShthMfS8 |
|---|---|
| InChI | InChI=1S/C12H16N2O2/c1-2-10(14-6-4-13-5-7-14)12-11(3-1)15-8-9-16-12/h1-3,13H,4-9H2 |
| InChIKey | WVLHGCRWEHCIOT-UHFFFAOYSA-N |
| Mol Weight | 220.27 g/mol |
| Molecular Formula | C12H16N2O2 |
| Exact Mass | 220.121178 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | HTs8FbL7Cz6 |
|---|---|
| Name | Eltoprazine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 220.121177761 u |
| Formula | C12H16N2O2 |
| InChI | InChI=1S/C12H16N2O2/c1-2-10(14-6-4-13-5-7-14)12-11(3-1)15-8-9-16-12/h1-3,13H,4-9H2 |
| InChIKey | WVLHGCRWEHCIOT-UHFFFAOYSA-N |
| Molecular Weight | 220.272 g/mol |
| SMILES | C1(N2CCNCC2)=C2C(OCCO2)=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.940362 |