| SpectraBase Compound ID | E9T1MmUm67C |
|---|---|
| InChI | InChI=1S/C7H9NO2/c1-3-4-5-10-7(9)6-8-2/h3H,1,4-6H2 |
| InChIKey | KMWGHOBXROQNTG-UHFFFAOYSA-N |
| Mol Weight | 139.15 g/mol |
| Molecular Formula | C7H9NO2 |
| Exact Mass | 139.063329 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C37i6RjD5Hc |
|---|---|
| Name | but-3-Enyl isocyanoacetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 139.063328532 u |
| Formula | C7H9NO2 |
| InChI | InChI=1S/C7H9NO2/c1-3-4-5-10-7(9)6-8-2/h3H,1,4-6H2 |
| InChIKey | KMWGHOBXROQNTG-UHFFFAOYSA-N |
| SMILES | C(C[N+]#[C-])(=O)OCCC=C |