| SpectraBase Compound ID | D4G9QxsLeFZ |
|---|---|
| InChI | InChI=1S/C9H20/c1-6-9(5,7-2)8(3)4/h8H,6-7H2,1-5H3 |
| InChIKey | MMASVVOQIKCFJZ-UHFFFAOYSA-N |
| Mol Weight | 128.26 g/mol |
| Molecular Formula | C9H20 |
| Exact Mass | 128.156501 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | G0nMFStmoG9 |
|---|---|
| Name | Pentane, 3-ethyl-2,3-dimethyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 128.156500644 u |
| Formula | C9H20 |
| InChI | InChI=1S/C9H20/c1-6-9(5,7-2)8(3)4/h8H,6-7H2,1-5H3 |
| InChIKey | MMASVVOQIKCFJZ-UHFFFAOYSA-N |
| Molecular Weight | 128.259 g/mol |
| SMILES | C(C(CC)(CC)C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.916787 |