SpectraBase Compound ID | 5Yn2Rv4mkjd |
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InChI | InChI=1S/C12H23NO/c1-9-8-11(14)10-6-4-5-7-12(10,2)13(9)3/h9-11,14H,4-8H2,1-3H3 |
InChIKey | GACDXECMLYJONU-UHFFFAOYSA-N |
Mol Weight | 197.32 g/mol |
Molecular Formula | C12H23NO |
Exact Mass | 197.177964 g/mol |
SpectraBase Spectrum ID | 96wLDFEaX8C |
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Name | 1,2,9-Trimethyldecahydroquinol-4-ol |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 197.177964364 u |
Formula | C12H23NO |
InChI | InChI=1S/C12H23NO/c1-9-8-11(14)10-6-4-5-7-12(10,2)13(9)3/h9-11,14H,4-8H2,1-3H3 |
InChIKey | GACDXECMLYJONU-UHFFFAOYSA-N |
Molecular Weight | 197.322 g/mol |
SMILES | C1(O)CC(N(C)C2(C1CCCC2)C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.920765 |