| SpectraBase Compound ID | IN1exphQ8AI |
|---|---|
| InChI | InChI=1S/C10H22/c1-5-10(6-2)8-7-9(3)4/h9-10H,5-8H2,1-4H3 |
| InChIKey | DGEMPTLPTFNEHJ-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 | 1IN7JxdOR3X |
|---|---|
| Name | Heptane, 5-ethyl-2-methyl- |
| 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/c1-5-10(6-2)8-7-9(3)4/h9-10H,5-8H2,1-4H3 |
| InChIKey | DGEMPTLPTFNEHJ-UHFFFAOYSA-N |
| Molecular Weight | 142.286 g/mol |
| SMILES | C(C(CC)CC)CC(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.91146 |