| SpectraBase Compound ID | It6hHNWKMcs |
|---|---|
| InChI | InChI=1S/C15H12O4/c1-10-2-6-13(19-10)12(16)5-3-11-4-7-14-15(8-11)18-9-17-14/h2-8H,9H2,1H3/b5-3+ |
| InChIKey | UQXMSWRHUCRNHF-HWKANZROSA-N |
| Mol Weight | 256.26 g/mol |
| Molecular Formula | C15H12O4 |
| Exact Mass | 256.073559 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C2IArfMPtSI |
|---|---|
| Name | 2-Propen-1-one, 3-(1,3-benzodioxol-5-yl)-1-(5-methyl-2-furanyl)-, (2E)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 256.073558862 u |
| Formula | C15H12O4 |
| InChI | InChI=1S/C15H12O4/c1-10-2-6-13(19-10)12(16)5-3-11-4-7-14-15(8-11)18-9-17-14/h2-8H,9H2,1H3/b5-3+ |
| InChIKey | UQXMSWRHUCRNHF-HWKANZROSA-N |
| Molecular Weight | 256.257 g/mol |
| SMILES | C=1(OC(C)=CC1)C(\C=C\C1=CC=2OCOC2C=C1)=O |