SpectraBase Compound ID | E4PbnLpFF3A |
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InChI | InChI=1S/C11H20O/c1-6-11(5,12)8-7-10(4)9(2)3/h6,9,12H,1,4,7-8H2,2-3,5H3 |
InChIKey | HGHMIWCVJMTQDQ-UHFFFAOYSA-N |
Mol Weight | 168.28 g/mol |
Molecular Formula | C11H20O |
Exact Mass | 168.151415 g/mol |
SpectraBase Spectrum ID | 8rKiFjiWy82 |
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Name | 1-Octen-3-ol, 3,7-dimethyl-6-methylene- |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 168.151415263 u |
Formula | C11H20O |
InChI | InChI=1S/C11H20O/c1-6-11(5,12)8-7-10(4)9(2)3/h6,9,12H,1,4,7-8H2,2-3,5H3 |
InChIKey | HGHMIWCVJMTQDQ-UHFFFAOYSA-N |
Molecular Weight | 168.280 g/mol |
SMILES | C(CCC(C=C)(O)C)(=C)C(C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.943847 |