| SpectraBase Compound ID | HX6XdCXH8Dj |
|---|---|
| InChI | InChI=1S/C19H40/c1-5-7-15-19(4)17-14-12-10-8-9-11-13-16-18(3)6-2/h18-19H,5-17H2,1-4H3/t18-,19+/m0/s1 |
| InChIKey | SHJISVVEHWFONS-RBUKOAKNSA-N |
| Mol Weight | 268.5 g/mol |
| Molecular Formula | C19H40 |
| Exact Mass | 268.313001 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4muhqBiHLMV |
|---|---|
| Name | (3S,13R)-3,13-Dimethylheptadecane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 268.313001288 u |
| Formula | C19H40 |
| InChI | InChI=1S/C19H40/c1-5-7-15-19(4)17-14-12-10-8-9-11-13-16-18(3)6-2/h18-19H,5-17H2,1-4H3/t18-,19+/m0/s1 |
| InChIKey | SHJISVVEHWFONS-RBUKOAKNSA-N |
| SMILES | CC[C@@](CCCCCCCCC[C@@](CCCC)(C)[H])(C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.831548 |