| SpectraBase Compound ID | 4ReL2JaCtxQ |
|---|---|
| InChI | InChI=1S/C16H10O4/c17-16-12-4-2-1-3-11(12)14(20-16)7-10-5-6-13-15(8-10)19-9-18-13/h1-8H,9H2/b14-7+ |
| InChIKey | VYUQITGMYUETQM-VGOFMYFVSA-N |
| Mol Weight | 266.25 g/mol |
| Molecular Formula | C16H10O4 |
| Exact Mass | 266.057909 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BYMESdg9wJF |
|---|---|
| Name | (3E)-3-(1,3-Benzodioxol-5-ylmethylene)isobenzofuran-1-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 266.057908798 u |
| Formula | C16H10O4 |
| InChI | InChI=1S/C16H10O4/c17-16-12-4-2-1-3-11(12)14(20-16)7-10-5-6-13-15(8-10)19-9-18-13/h1-8H,9H2/b14-7+ |
| InChIKey | VYUQITGMYUETQM-VGOFMYFVSA-N |
| Molecular Weight | 266.252 g/mol |
| SMILES | C1(O\C(C2=C1C=CC=C2)=C/C=1C=C2OCOC2=CC1)=O |