| SpectraBase Compound ID | CA21o1L2TRr |
|---|---|
| InChI | InChI=1S/C18H18O4/c1-21-15-10-14(11-16(12-15)22-2)18(20)17(19)9-8-13-6-4-3-5-7-13/h3-12,18,20H,1-2H3/b9-8-/t18-/m1/s1 |
| InChIKey | SLOCBMKWTSLHSL-CNZFZVQHSA-N |
| Mol Weight | 298.34 g/mol |
| Molecular Formula | C18H18O4 |
| Exact Mass | 298.120509 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3KiJSRnTMAL |
|---|---|
| Name | (R)-1-(3,5-Dimethoxyphenyl)-1-hydroxy-4-phenylbut-3-en-2-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 298.120509056 u |
| Formula | C18H18O4 |
| InChI | InChI=1S/C18H18O4/c1-21-15-10-14(11-16(12-15)22-2)18(20)17(19)9-8-13-6-4-3-5-7-13/h3-12,18,20H,1-2H3/b9-8-/t18-/m1/s1 |
| InChIKey | SLOCBMKWTSLHSL-CNZFZVQHSA-N |
| SMILES | [C@](C(\C=C/C=1C=CC=CC1)=O)(O)(C=1C=C(C=C(C1)OC)OC)[H] |