| SpectraBase Compound ID | 6a37TiwmjUt |
|---|---|
| InChI | InChI=1S/C16H12O3/c1-10-2-7-14-13(8-10)16(18)15(19-14)9-11-3-5-12(17)6-4-11/h2-9,17H,1H3/b15-9+ |
| InChIKey | ZTHRSDNSBNDEKA-OQLLNIDSSA-N |
| Mol Weight | 252.27 g/mol |
| Molecular Formula | C16H12O3 |
| Exact Mass | 252.078644 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7AtPhRHGyGd |
|---|---|
| Name | 5-Methyl-4'-hydroxy-2-benzylidene-coumaran-3-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 252.078644243 u |
| Formula | C16H12O3 |
| InChI | InChI=1S/C16H12O3/c1-10-2-7-14-13(8-10)16(18)15(19-14)9-11-3-5-12(17)6-4-11/h2-9,17H,1H3/b15-9+ |
| InChIKey | ZTHRSDNSBNDEKA-OQLLNIDSSA-N |
| Molecular Weight | 252.269 g/mol |
| SMILES | C12=C(C=C(C=C2)C)C(=O)\C(O1)=C/C1=CC=C(O)C=C1 |