| SpectraBase Compound ID | 5JZK5Ixb8AH |
|---|---|
| InChI | InChI=1S/C18H38/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2)3/h18H,4-17H2,1-3H3 |
| InChIKey | RJWUMFHQJJBBOD-UHFFFAOYSA-N |
| Mol Weight | 254.5 g/mol |
| Molecular Formula | C18H38 |
| Exact Mass | 254.297351 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 13FBnjZXlvj |
|---|---|
| Name | Heptadecane, 2-methyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 254.297351224 u |
| Formula | C18H38 |
| InChI | InChI=1S/C18H38/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2)3/h18H,4-17H2,1-3H3 |
| InChIKey | RJWUMFHQJJBBOD-UHFFFAOYSA-N |
| Molecular Weight | 254.502 g/mol |
| SMILES | C(CCCCCCCCCC)CCCCC(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.918488 |