| SpectraBase Compound ID | IqqsBHCnLjM |
|---|---|
| InChI | InChI=1S/C13H28/c1-5-8-11-13(10-7-3)12(4)9-6-2/h12-13H,5-11H2,1-4H3 |
| InChIKey | XSMMHKQHDCOSCO-UHFFFAOYSA-N |
| Mol Weight | 184.37 g/mol |
| Molecular Formula | C13H28 |
| Exact Mass | 184.219101 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | AMQK5cDEDYx |
|---|---|
| Name | Nonane, 4-methyl-5-propyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 184.219100902 u |
| Formula | C13H28 |
| InChI | InChI=1S/C13H28/c1-5-8-11-13(10-7-3)12(4)9-6-2/h12-13H,5-11H2,1-4H3 |
| InChIKey | XSMMHKQHDCOSCO-UHFFFAOYSA-N |
| Molecular Weight | 184.367 g/mol |
| SMILES | C(C(CCCC)CCC)(CCC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.949976 |