| SpectraBase Compound ID | HCrkaM0KQQx |
|---|---|
| InChI | InChI=1S/C17H16O3/c18-14(11-10-13-6-2-1-3-7-13)12-17(20)15-8-4-5-9-16(15)19/h1-9,19H,10-12H2 |
| InChIKey | AFNRAZXMXUYAFC-UHFFFAOYSA-N |
| Mol Weight | 268.31 g/mol |
| Molecular Formula | C17H16O3 |
| Exact Mass | 268.109944 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5JgfRW8J2co |
|---|---|
| Name | 1,3-Pentanedione, 1-(2-hydroxyphenyl)-5-phenyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 268.109944372 u |
| Formula | C17H16O3 |
| InChI | InChI=1S/C17H16O3/c18-14(11-10-13-6-2-1-3-7-13)12-17(20)15-8-4-5-9-16(15)19/h1-9,19H,10-12H2 |
| InChIKey | AFNRAZXMXUYAFC-UHFFFAOYSA-N |
| Molecular Weight | 268.312 g/mol |
| SMILES | C(C=1C(O)=CC=CC1)(CC(=O)CCC1=CC=CC=C1)=O |