| SpectraBase Compound ID | 5s3FR0ilrY2 |
|---|---|
| InChI | InChI=1S/C8H11NO/c1-4-5-9-8(10)6-7(2)3/h1,6H,5H2,2-3H3,(H,9,10) |
| InChIKey | PRLDDXLDHZZKFN-UHFFFAOYSA-N |
| Mol Weight | 137.18 g/mol |
| Molecular Formula | C8H11NO |
| Exact Mass | 137.084064 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | I2r0B1DC2cu |
|---|---|
| Name | 3-Methylbut-2-noic acid prop-2-ynylamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 137.084063977 u |
| Formula | C8H11NO |
| InChI | InChI=1S/C8H11NO/c1-4-5-9-8(10)6-7(2)3/h1,6H,5H2,2-3H3,(H,9,10) |
| InChIKey | PRLDDXLDHZZKFN-UHFFFAOYSA-N |
| Molecular Weight | 137.182 g/mol |
| SMILES | C(#C)CNC(C=C(C)C)=O |