| SpectraBase Compound ID | Ggrrxt7C8Z6 |
|---|---|
| InChI | InChI=1S/C18H18O3/c1-13(18(20-2)21-3)15-10-7-11-16(12-15)17(19)14-8-5-4-6-9-14/h4-12H,1-3H3 |
| InChIKey | GRKOCLADFQKUBD-UHFFFAOYSA-N |
| Mol Weight | 282.34 g/mol |
| Molecular Formula | C18H18O3 |
| Exact Mass | 282.125594 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FkbFhP6ToQn |
|---|---|
| Name | Ketoprofen di-methyl derivative |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 282.125594437 u |
| Formula | C18H18O3 |
| InChI | InChI=1S/C18H18O3/c1-13(18(20-2)21-3)15-10-7-11-16(12-15)17(19)14-8-5-4-6-9-14/h4-12H,1-3H3 |
| InChIKey | GRKOCLADFQKUBD-UHFFFAOYSA-N |
| SMILES | C1=C(C=C(C=C1)C(=C(OC)OC)C)C(C1=CC=CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.942903 |