SpectraBase Compound ID | KaYKFZWv8E1 |
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InChI | InChI=1S/C9H16O/c1-7-4-8(10)6-9(2,3)5-7/h5,8,10H,4,6H2,1-3H3 |
InChIKey | PUJBFYNRONBAHM-UHFFFAOYSA-N |
Mol Weight | 140.23 g/mol |
Molecular Formula | C9H16O |
Exact Mass | 140.120115 g/mol |
SpectraBase Spectrum ID | 22QMOs97B5Y |
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Name | (R)-3,5,5-Trimethylcyclohex-3-en-1-ol |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 140.120115134 u |
Formula | C9H16O |
InChI | InChI=1S/C9H16O/c1-7-4-8(10)6-9(2,3)5-7/h5,8,10H,4,6H2,1-3H3 |
InChIKey | PUJBFYNRONBAHM-UHFFFAOYSA-N |
Molecular Weight | 140.226 g/mol |
SMILES | C1(CC(=CC(C1)(C)C)C)O |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.925306 |