SpectraBase Compound ID | 7Rvd9hHqlce |
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InChI | InChI=1S/C13H26O/c1-3-4-5-6-7-8-13(14)11(2)12-9-10-12/h11-14H,3-10H2,1-2H3 |
InChIKey | UISOTJQAUKDJDO-UHFFFAOYSA-N |
Mol Weight | 198.35 g/mol |
Molecular Formula | C13H26O |
Exact Mass | 198.198365 g/mol |
SpectraBase Spectrum ID | 9TUygYAuigV |
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Name | Erythro-2-cyclopropyldecan-3-ol |
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/c1-3-4-5-6-7-8-13(14)11(2)12-9-10-12/h11-14H,3-10H2,1-2H3 |
InChIKey | UISOTJQAUKDJDO-UHFFFAOYSA-N |
Molecular Weight | 198.350 g/mol |
SMILES | C1(CC1)C(C(O)CCCCCCC)C |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.851371 |