SpectraBase Compound ID | IiS9HNJAjF1 |
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InChI | InChI=1S/C12H26O/c1-5-12(13)9-11(4)8-6-7-10(2)3/h10-13H,5-9H2,1-4H3 |
InChIKey | IAMDHPUVYSKJSO-UHFFFAOYSA-N |
Mol Weight | 186.34 g/mol |
Molecular Formula | C12H26O |
Exact Mass | 186.198365 g/mol |
SpectraBase Spectrum ID | Euc4MQ2W2tX |
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Name | 5,9-Dimethyl-3-decanol |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 186.198365456 u |
Formula | C12H26O |
InChI | InChI=1S/C12H26O/c1-5-12(13)9-11(4)8-6-7-10(2)3/h10-13H,5-9H2,1-4H3 |
InChIKey | IAMDHPUVYSKJSO-UHFFFAOYSA-N |
Molecular Weight | 186.339 g/mol |
SMILES | CC(C)CCCC(C)CC(O)CC |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.96272 |