SpectraBase Compound ID | 3NShEH8EYfT |
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InChI | InChI=1S/C8H16O2/c1-6-3-7(9)5-8(4-6)10-2/h6-9H,3-5H2,1-2H3 |
InChIKey | JPXBQUFLJLLSIS-UHFFFAOYSA-N |
Mol Weight | 144.21 g/mol |
Molecular Formula | C8H16O2 |
Exact Mass | 144.11503 g/mol |
SpectraBase Spectrum ID | 8HSOknh0ovQ |
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Name | 3-cis-Methoxy-5-trans-methyl-1R-cyclohexanol |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 144.115029753 u |
Formula | C8H16O2 |
InChI | InChI=1S/C8H16O2/c1-6-3-7(9)5-8(4-6)10-2/h6-9H,3-5H2,1-2H3 |
InChIKey | JPXBQUFLJLLSIS-UHFFFAOYSA-N |
Molecular Weight | 144.214 g/mol |
SMILES | C1(CC(CC(C1)O)C)OC |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.936792 |