| SpectraBase Compound ID | 3I91nCl6X3F |
|---|---|
| InChI | InChI=1S/C18H18O3/c1-13(15-9-5-3-6-10-15)18(21-14(2)19)17(20)16-11-7-4-8-12-16/h3-13,18H,1-2H3 |
| InChIKey | NOZJLMIYRGLCKN-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 | 1PUbATrXUcN |
|---|---|
| Name | 2-Acetyloxy-1,3-diphenyl-1-butanone |
| 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(15-9-5-3-6-10-15)18(21-14(2)19)17(20)16-11-7-4-8-12-16/h3-13,18H,1-2H3 |
| InChIKey | NOZJLMIYRGLCKN-UHFFFAOYSA-N |
| SMILES | C(C(=O)C=1C=CC=CC1)(C(C1=CC=CC=C1)C)OC(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.919146 |