| SpectraBase Compound ID | 8MwU69Y7UpV |
|---|---|
| InChI | InChI=1S/C10H22/c1-6-8-9(3)10(4,5)7-2/h9H,6-8H2,1-5H3 |
| InChIKey | WRBHKVWLEIYLDZ-UHFFFAOYSA-N |
| Mol Weight | 142.29 g/mol |
| Molecular Formula | C10H22 |
| Exact Mass | 142.172151 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | E11jT3bXTMz |
|---|---|
| Name | Heptane, 3,3,4-trimethyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 142.172150708 u |
| Formula | C10H22 |
| InChI | InChI=1S/C10H22/c1-6-8-9(3)10(4,5)7-2/h9H,6-8H2,1-5H3 |
| InChIKey | WRBHKVWLEIYLDZ-UHFFFAOYSA-N |
| Molecular Weight | 142.286 g/mol |
| SMILES | C(C(C)(C)C(CCC)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.941723 |