| SpectraBase Compound ID | 6ngxDYVsYHX |
|---|---|
| InChI | InChI=1S/C20H30O2/c1-3-5-7-9-11-19(21)17-13-15-18(16-14-17)20(22)12-10-8-6-4-2/h13-16H,3-12H2,1-2H3 |
| InChIKey | NBZZDFVCZUNFKY-UHFFFAOYSA-N |
| Mol Weight | 302.46 g/mol |
| Molecular Formula | C20H30O2 |
| Exact Mass | 302.22458 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | F1kYpcFAJT6 |
|---|---|
| Name | 1,1'-(1,4-Phenylene)bis-1-heptanone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 302.224580204 u |
| Formula | C20H30O2 |
| InChI | InChI=1S/C20H30O2/c1-3-5-7-9-11-19(21)17-13-15-18(16-14-17)20(22)12-10-8-6-4-2/h13-16H,3-12H2,1-2H3 |
| InChIKey | NBZZDFVCZUNFKY-UHFFFAOYSA-N |
| SMILES | C=1(C(=O)CCCCCC)C=CC(=CC1)C(=O)CCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.977839 |