SpectraBase Compound ID | 7mIxSJ8aIXd |
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InChI | InChI=1S/C11H22O/c1-10(2)6-5-9(7-10)8-11(3,4)12/h9,12H,5-8H2,1-4H3 |
InChIKey | JTUFKFAHYFFQGP-UHFFFAOYSA-N |
Mol Weight | 170.3 g/mol |
Molecular Formula | C11H22O |
Exact Mass | 170.167065 g/mol |
SpectraBase Spectrum ID | FelOt3karDa |
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Name | 1-(3,3-Dimethylcyclopentyl)-2-methyl-2-propanol |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 170.167065327 u |
Formula | C11H22O |
InChI | InChI=1S/C11H22O/c1-10(2)6-5-9(7-10)8-11(3,4)12/h9,12H,5-8H2,1-4H3 |
InChIKey | JTUFKFAHYFFQGP-UHFFFAOYSA-N |
Molecular Weight | 170.296 g/mol |
SMILES | C1(CC(CC(O)(C)C)CC1)(C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.929277 |