| SpectraBase Compound ID | ANebxTanHPR |
|---|---|
| InChI | InChI=1S/C12H18N2O4/c1-5-12(7-6-8(2)15)9(16)13(3)11(18)14(4)10(12)17/h5-7H2,1-4H3 |
| InChIKey | GEHIGJGUAPGQAM-UHFFFAOYSA-N |
| Mol Weight | 254.29 g/mol |
| Molecular Formula | C12H18N2O4 |
| Exact Mass | 254.126657 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | Fb4sPMhDjUT |
|---|---|
| Name | 3'-Ketobarbitone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 254.126657064 u |
| Formula | C12H18N2O4 |
| InChI | InChI=1S/C12H18N2O4/c1-5-12(7-6-8(2)15)9(16)13(3)11(18)14(4)10(12)17/h5-7H2,1-4H3 |
| InChIKey | GEHIGJGUAPGQAM-UHFFFAOYSA-N |
| Molecular Weight | 254.286 g/mol |
| SMILES | C1(N(C(N(C(C1(CCC(C)=O)CC)=O)C)=O)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.926567 |