| SpectraBase Compound ID | Bxaq9UCtGL3 |
|---|---|
| InChI | InChI=1S/C13H20N2O3/c1-5-7-9(3)13(8-6-2)10(16)14-12(18)15(4)11(13)17/h6,9H,2,5,7-8H2,1,3-4H3,(H,14,16,18) |
| InChIKey | MIBYOIHMKQTMKM-UHFFFAOYSA-N |
| Mol Weight | 252.31 g/mol |
| Molecular Formula | C13H20N2O3 |
| Exact Mass | 252.147393 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | F5Msg5wMpeD |
|---|---|
| Name | Secobarbital (me) P619 |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 252.147392509 u |
| Formula | C13H20N2O3 |
| InChI | InChI=1S/C13H20N2O3/c1-5-7-9(3)13(8-6-2)10(16)14-12(18)15(4)11(13)17/h6,9H,2,5,7-8H2,1,3-4H3,(H,14,16,18) |
| InChIKey | MIBYOIHMKQTMKM-UHFFFAOYSA-N |
| Molecular Weight | 252.314 g/mol |
| SMILES | C1(=O)N(C(=O)C(C(CCC)C)(C(=O)N1)CC=C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.947125 |