![N-[(1,3-dioxo-1,3-dihydro-2H-inden-2-ylidene)methyl]butanamide](/api/spectrum/DypqqG8JdqD/structure.png?h=300&w=458 "N-[(1,3-dioxo-1,3-dihydro-2H-inden-2-ylidene)methyl]butanamide")
| SpectraBase Compound ID | L66i85pZz4I |
|---|---|
| InChI | InChI=1S/C14H13NO3/c1-2-5-12(16)15-8-11-13(17)9-6-3-4-7-10(9)14(11)18/h3-4,6-8H,2,5H2,1H3,(H,15,16) |
| InChIKey | GFEXBTGRVXJTMS-UHFFFAOYSA-N |
| Mol Weight | 243.26 g/mol |
| Molecular Formula | C14H13NO3 |
| Exact Mass | 243.089543 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DypqqG8JdqD |
|---|---|
| Name | N-[(1,3-Dioxo-1,3-dihydro-2H-inden-2-ylidene)methyl]butanamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 243.089543280 u |
| Formula | C14H13NO3 |
| InChI | InChI=1S/C14H13NO3/c1-2-5-12(16)15-8-11-13(17)9-6-3-4-7-10(9)14(11)18/h3-4,6-8H,2,5H2,1H3,(H,15,16) |
| InChIKey | GFEXBTGRVXJTMS-UHFFFAOYSA-N |
| Molecular Weight | 243.262 g/mol |
| SMILES | N(C=C1C(C=2C=CC=CC2C1=O)=O)C(=O)CCC |