![7-(Acetamido)heptamide, N-methyl-N-[4-(1-pyrrolidinyl)-2-butynyl]-](/api/spectrum/DeKqZK8hWeb/structure.png?h=300&w=458 "7-(Acetamido)heptamide, N-methyl-N-[4-(1-pyrrolidinyl)-2-butynyl]-")
| SpectraBase Compound ID | CsmwbI2ceij |
|---|---|
| InChI | InChI=1S/C18H31N3O2/c1-17(22)19-12-6-4-3-5-11-18(23)20(2)13-7-8-14-21-15-9-10-16-21/h3-6,9-16H2,1-2H3,(H,19,22) |
| InChIKey | LXUFGMQKLRTPTK-UHFFFAOYSA-N |
| Mol Weight | 321.47 g/mol |
| Molecular Formula | C18H31N3O2 |
| Exact Mass | 321.241627 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DeKqZK8hWeb |
|---|---|
| Name | 7-(Acetamido)heptamide, N-methyl-N-[4-(1-pyrrolidinyl)-2-butynyl]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 321.241627248 u |
| Formula | C18H31N3O2 |
| InChI | InChI=1S/C18H31N3O2/c1-17(22)19-12-6-4-3-5-11-18(23)20(2)13-7-8-14-21-15-9-10-16-21/h3-6,9-16H2,1-2H3,(H,19,22) |
| InChIKey | LXUFGMQKLRTPTK-UHFFFAOYSA-N |
| Molecular Weight | 321.465 g/mol |
| SMILES | C1N(CCC1)CC#CCN(C)C(CCCCCCNC(=O)C)=O |