| SpectraBase Compound ID | JdInkakHRy3 |
|---|---|
| InChI | InChI=1S/C11H19NO/c1-11(13)7-10-12-8-5-3-2-4-6-9-12/h7,10H,2-6,8-9H2,1H3/b10-7+ |
| InChIKey | FRORLRCJVGVASV-JXMROGBWSA-N |
| Mol Weight | 181.28 g/mol |
| Molecular Formula | C11H19NO |
| Exact Mass | 181.146664 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HWWwdPkdrpX |
|---|---|
| Name | 4-Heptamethyleneimino-3-buten-2-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 181.146664235 u |
| Formula | C11H19NO |
| InChI | InChI=1S/C11H19NO/c1-11(13)7-10-12-8-5-3-2-4-6-9-12/h7,10H,2-6,8-9H2,1H3/b10-7+ |
| InChIKey | FRORLRCJVGVASV-JXMROGBWSA-N |
| Molecular Weight | 181.279 g/mol |
| SMILES | C(=O)(C)\C=C\N1CCCCCCC1 |