SpectraBase Compound ID | FY79rO2a6mF |
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InChI | InChI=1S/C15H24O/c1-4-5-6-7-12-15(2,3)13-8-10-14(16)11-9-13/h8-11,16H,4-7,12H2,1-3H3 |
InChIKey | IJWXCYSPVNCDMA-UHFFFAOYSA-N |
Mol Weight | 220.36 g/mol |
Molecular Formula | C15H24O |
Exact Mass | 220.182715 g/mol |
SpectraBase Spectrum ID | 7DkNGGg3UaD |
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Name | 4-(2-Methyloct-2-yl)-phenol |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 220.182715392 u |
Formula | C15H24O |
InChI | InChI=1S/C15H24O/c1-4-5-6-7-12-15(2,3)13-8-10-14(16)11-9-13/h8-11,16H,4-7,12H2,1-3H3 |
InChIKey | IJWXCYSPVNCDMA-UHFFFAOYSA-N |
Molecular Weight | 220.356 g/mol |
SMILES | C1(O)=CC=C(C(C)(C)CCCCCC)C=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.923749 |