SpectraBase Compound ID | GzwYAI7aa1 |
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InChI | InChI=1S/C9H18O/c1-9(2,3)8(10)6-7-4-5-7/h7-8,10H,4-6H2,1-3H3 |
InChIKey | MCIOLTWULIXXCC-UHFFFAOYSA-N |
Mol Weight | 142.24 g/mol |
Molecular Formula | C9H18O |
Exact Mass | 142.135765 g/mol |
SpectraBase Spectrum ID | 95zU8nkBBZ |
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Name | 1-Cyclopropyl-3,3-dimethylbutan-2-ol |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 142.135765199 u |
Formula | C9H18O |
InChI | InChI=1S/C9H18O/c1-9(2,3)8(10)6-7-4-5-7/h7-8,10H,4-6H2,1-3H3 |
InChIKey | MCIOLTWULIXXCC-UHFFFAOYSA-N |
Molecular Weight | 142.242 g/mol |
SMILES | C1(CC1)CC(C(C)(C)C)O |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.961708 |