| SpectraBase Compound ID | CTLHtosY3k0 |
|---|---|
| InChI | InChI=1S/C7H11NO/c1-2-3-6-9-7-4-5-8/h2H,1,3-4,6-7H2 |
| InChIKey | XGFIFQOCVYMNDO-UHFFFAOYSA-N |
| Mol Weight | 125.17 g/mol |
| Molecular Formula | C7H11NO |
| Exact Mass | 125.084064 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CzUPg886w3c |
|---|---|
| Name | 3-but-3-Enoxypropanenitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 125.084063977 u |
| Formula | C7H11NO |
| InChI | InChI=1S/C7H11NO/c1-2-3-6-9-7-4-5-8/h2H,1,3-4,6-7H2 |
| InChIKey | XGFIFQOCVYMNDO-UHFFFAOYSA-N |
| Molecular Weight | 125.171 g/mol |
| SMILES | C(#N)CCOCCC=C |