SpectraBase Compound ID | 3R3cpfqFUFp |
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InChI | InChI=1S/C13H26O/c1-4-8-12(11(5-2)6-3)13-9-7-10-14-13/h11-13H,4-10H2,1-3H3 |
InChIKey | BPPGLUQJXOURMJ-UHFFFAOYSA-N |
Mol Weight | 198.35 g/mol |
Molecular Formula | C13H26O |
Exact Mass | 198.198365 g/mol |
SpectraBase Spectrum ID | 13u7siijLTw |
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Name | 2-(2-Ethyl-1-propyl-butyl)tetrahydrofuran |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 198.198365456 u |
Formula | C13H26O |
InChI | InChI=1S/C13H26O/c1-4-8-12(11(5-2)6-3)13-9-7-10-14-13/h11-13H,4-10H2,1-3H3 |
InChIKey | BPPGLUQJXOURMJ-UHFFFAOYSA-N |
Molecular Weight | 198.350 g/mol |
SMILES | C(C(CC)CC)(CCC)C1OCCC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.962806 |