| SpectraBase Compound ID | CRcudbfO1d6 |
|---|---|
| InChI | InChI=1S/C16H12O2/c1-11-6-8-12(9-7-11)10-15-13-4-2-3-5-14(13)16(17)18-15/h2-10H,1H3/b15-10- |
| InChIKey | HYLSWFOHDJRUGQ-GDNBJRDFSA-N |
| Mol Weight | 236.27 g/mol |
| Molecular Formula | C16H12O2 |
| Exact Mass | 236.08373 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KMfzuA5N9nN |
|---|---|
| Name | 3-(para-Tolylmethylene)-(Z)-1(3H)-isobenzofuranone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 236.083729624 u |
| Formula | C16H12O2 |
| InChI | InChI=1S/C16H12O2/c1-11-6-8-12(9-7-11)10-15-13-4-2-3-5-14(13)16(17)18-15/h2-10H,1H3/b15-10- |
| InChIKey | HYLSWFOHDJRUGQ-GDNBJRDFSA-N |
| Molecular Weight | 236.270 g/mol |
| SMILES | C1(=O)C2=CC=CC=C2\C(O1)=C\C1=CC=C(C=C1)C |