| SpectraBase Compound ID | KCjgzRlNaC5 |
|---|---|
| InChI | InChI=1S/C14H12O3/c15-13-11-7-6-10(8-12(11)14(16)17-13)9-4-2-1-3-5-9/h1-6,11-12H,7-8H2 |
| InChIKey | JKYWPOLMZPJQML-UHFFFAOYSA-N |
| Mol Weight | 228.25 g/mol |
| Molecular Formula | C14H12O3 |
| Exact Mass | 228.078644 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2OH9RKVO5aO |
|---|---|
| Name | 1,3-Isobenzofurandione, 3A,4,7,7A-tetrahydro-5-phenyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 228.078644243 u |
| Formula | C14H12O3 |
| InChI | InChI=1S/C14H12O3/c15-13-11-7-6-10(8-12(11)14(16)17-13)9-4-2-1-3-5-9/h1-6,11-12H,7-8H2 |
| InChIKey | JKYWPOLMZPJQML-UHFFFAOYSA-N |
| Molecular Weight | 228.247 g/mol |
| SMILES | C1(=O)C2CC=C(C3=CC=CC=C3)CC2C(O1)=O |