| SpectraBase Compound ID | I7VZQQYgofw |
|---|---|
| InChI | InChI=1S/C19H40/c1-5-6-7-8-9-10-11-12-13-16-19(4)17-14-15-18(2)3/h18-19H,5-17H2,1-4H3 |
| InChIKey | RHDKKTYWDZUSCS-UHFFFAOYSA-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 | IPjR63fw5CT |
|---|---|
| Name | Heptadecane, 2,6-dimethyl- |
| 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/c1-5-6-7-8-9-10-11-12-13-16-19(4)17-14-15-18(2)3/h18-19H,5-17H2,1-4H3 |
| InChIKey | RHDKKTYWDZUSCS-UHFFFAOYSA-N |
| SMILES | CC(CCCC(CCCCCCCCCCC)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.898345 |