| SpectraBase Compound ID | 6NbDD2AwZKK |
|---|---|
| InChI | InChI=1S/C14H30/c1-11(12(2,3)4)10-14(8,9)13(5,6)7/h11H,10H2,1-9H3 |
| InChIKey | OTNCYIBPUVFLLZ-UHFFFAOYSA-N |
| Mol Weight | 198.39 g/mol |
| Molecular Formula | C14H30 |
| Exact Mass | 198.234751 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7EbadRnl6RT |
|---|---|
| Name | Heptane, 2,2,3,3,5,6,6-heptamethyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 198.234750966 u |
| Formula | C14H30 |
| InChI | InChI=1S/C14H30/c1-11(12(2,3)4)10-14(8,9)13(5,6)7/h11H,10H2,1-9H3 |
| InChIKey | OTNCYIBPUVFLLZ-UHFFFAOYSA-N |
| Molecular Weight | 198.394 g/mol |
| SMILES | C(CC(C(C)(C)C)C)(C(C)(C)C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.962139 |