SpectraBase Compound ID | 8UTM0o7i2es |
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InChI | InChI=1S/C12H25NO/c1-9(2)8-10(3)13-11-4-6-12(14)7-5-11/h9-14H,4-8H2,1-3H3 |
InChIKey | FDTSXUJLTFPPRY-UHFFFAOYSA-N |
Mol Weight | 199.34 g/mol |
Molecular Formula | C12H25NO |
Exact Mass | 199.193614 g/mol |
SpectraBase Spectrum ID | G8psG6964Cv |
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Name | 4-(4-Methylpentan-2-ylamino)-1-cyclohexanol |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 199.193614428 u |
Formula | C12H25NO |
InChI | InChI=1S/C12H25NO/c1-9(2)8-10(3)13-11-4-6-12(14)7-5-11/h9-14H,4-8H2,1-3H3 |
InChIKey | FDTSXUJLTFPPRY-UHFFFAOYSA-N |
Molecular Weight | 199.338 g/mol |
SMILES | C(NC1CCC(CC1)O)(CC(C)C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.836512 |