| SpectraBase Compound ID | 4b7cyVhjX6E |
|---|---|
| InChI | InChI=1S/C23H48/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-20-22-23(3)21-19-7-5-2/h23H,4-22H2,1-3H3 |
| InChIKey | VVCOFKSCSCODPC-UHFFFAOYSA-N |
| Mol Weight | 324.6 g/mol |
| Molecular Formula | C23H48 |
| Exact Mass | 324.375602 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 719s7fh7Zjt |
|---|---|
| Name | Docosane, 6-methyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 324.375601546 u |
| Formula | C23H48 |
| InChI | InChI=1S/C23H48/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-20-22-23(3)21-19-7-5-2/h23H,4-22H2,1-3H3 |
| InChIKey | VVCOFKSCSCODPC-UHFFFAOYSA-N |
| Molecular Weight | 324.637 g/mol |
| SMILES | C(CCCCCCCCCCCCCCC)C(CCCCC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.902529 |