![Butanoic acid, 4-[(2-aminoethyl)amino]-4-oxo-, ethyl ester](/api/spectrum/KYgulAV3tOt/structure.png?h=300&w=458 "Butanoic acid, 4-[(2-aminoethyl)amino]-4-oxo-, ethyl ester")
| SpectraBase Compound ID | 888gg1dmjLE |
|---|---|
| InChI | InChI=1S/C8H16N2O3/c1-2-13-8(12)4-3-7(11)10-6-5-9/h2-6,9H2,1H3,(H,10,11) |
| InChIKey | WYXUYWIRQXWFQV-UHFFFAOYSA-N |
| Mol Weight | 188.23 g/mol |
| Molecular Formula | C8H16N2O3 |
| Exact Mass | 188.116092 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KYgulAV3tOt |
|---|---|
| Name | Butanoic acid, 4-[(2-aminoethyl)amino]-4-oxo-, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 188.116092380 u |
| Formula | C8H16N2O3 |
| InChI | InChI=1S/C8H16N2O3/c1-2-13-8(12)4-3-7(11)10-6-5-9/h2-6,9H2,1H3,(H,10,11) |
| InChIKey | WYXUYWIRQXWFQV-UHFFFAOYSA-N |
| Molecular Weight | 188.227 g/mol |
| SMILES | CCOC(=O)CCC(=O)NCCN |