| SpectraBase Compound ID | HRkcevWdXvX |
|---|---|
| InChI | InChI=1S/C10H16N2O4/c1-3-10(5-4-6(2)13)7(14)11-9(16)12-8(10)15/h6,13H,3-5H2,1-2H3,(H2,11,12,14,15,16) |
| InChIKey | IZKJWVWECPZXAK-UHFFFAOYSA-N |
| Mol Weight | 228.25 g/mol |
| Molecular Formula | C10H16N2O4 |
| Exact Mass | 228.111007 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BA3pgVmvjtZ |
|---|---|
| Name | 3'-Hydroxybutobarbitone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 228.111006999 u |
| Formula | C10H16N2O4 |
| InChI | InChI=1S/C10H16N2O4/c1-3-10(5-4-6(2)13)7(14)11-9(16)12-8(10)15/h6,13H,3-5H2,1-2H3,(H2,11,12,14,15,16) |
| InChIKey | IZKJWVWECPZXAK-UHFFFAOYSA-N |
| Molecular Weight | 228.248 g/mol |
| SMILES | C1(C(C(=O)NC(N1)=O)(CC)CCC(C)O)=O |