| SpectraBase Compound ID | 7cGZOmW8D40 |
|---|---|
| InChI | InChI=1S/C16H25NO4/c1-4-5-6-7-9-13-12(2)15(19)17(16(13)20)11-8-10-14(18)21-3/h4-11H2,1-3H3 |
| InChIKey | LLVQWGSNIRSNCC-UHFFFAOYSA-N |
| Mol Weight | 295.38 g/mol |
| Molecular Formula | C16H25NO4 |
| Exact Mass | 295.178358 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 7RY3RdbUegZ |
|---|---|
| Name | 4-(3-Hexyl-4-methyl-2,5-dioxopyrrol-1-yl)butanoic acid, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 295.178358285 u |
| Formula | C16H25NO4 |
| InChI | InChI=1S/C16H25NO4/c1-4-5-6-7-9-13-12(2)15(19)17(16(13)20)11-8-10-14(18)21-3/h4-11H2,1-3H3 |
| InChIKey | LLVQWGSNIRSNCC-UHFFFAOYSA-N |
| SMILES | C1(=C(C(N(C1=O)CCCC(OC)=O)=O)CCCCCC)C |