![Butanoic acid, 4-[[(dimethylamino)methylene]amino]-, methyl ester](/api/spectrum/KNYJcRqD2bA/structure.png?h=300&w=458 "Butanoic acid, 4-[[(dimethylamino)methylene]amino]-, methyl ester")
| SpectraBase Compound ID | FUjuYBFnEwp |
|---|---|
| InChI | InChI=1S/C8H16N2O2/c1-10(2)7-9-6-4-5-8(11)12-3/h7H,4-6H2,1-3H3/b9-7+ |
| InChIKey | PEISWZHPJQFQDM-VQHVLOKHSA-N |
| Mol Weight | 172.23 g/mol |
| Molecular Formula | C8H16N2O2 |
| Exact Mass | 172.121178 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KNYJcRqD2bA |
|---|---|
| Name | Butanoic acid, 4-[[(dimethylamino)methylene]amino]-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 172.121177761 u |
| Formula | C8H16N2O2 |
| InChI | InChI=1S/C8H16N2O2/c1-10(2)7-9-6-4-5-8(11)12-3/h7H,4-6H2,1-3H3/b9-7+ |
| InChIKey | PEISWZHPJQFQDM-VQHVLOKHSA-N |
| Molecular Weight | 172.228 g/mol |
| SMILES | C(\N=C\N(C)C)CCC(=O)OC |