| SpectraBase Compound ID | EOAzyAmpUyo |
|---|---|
| InChI | InChI=1S/C12H20N2O2S/c1-5-7-8(3)12(6-2)9(15)13-11(17)14(4)10(12)16/h8H,5-7H2,1-4H3,(H,13,15,17) |
| InChIKey | OAEJSTDIZHDGSH-UHFFFAOYSA-N |
| Mol Weight | 256.36 g/mol |
| Molecular Formula | C12H20N2O2S |
| Exact Mass | 256.124549 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Aq37vJVkHZD |
|---|---|
| Name | Thiopental (me) P638 |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 256.124549064 u |
| Formula | C12H20N2O2S |
| InChI | InChI=1S/C12H20N2O2S/c1-5-7-8(3)12(6-2)9(15)13-11(17)14(4)10(12)16/h8H,5-7H2,1-4H3,(H,13,15,17) |
| InChIKey | OAEJSTDIZHDGSH-UHFFFAOYSA-N |
| SMILES | C1(=S)N(C)C(C(C(CCC)C)(C(N1)=O)CC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.919353 |