SpectraBase Compound ID | LgMATVs4xsZ |
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InChI | InChI=1S/C11H22O/c1-6-10(12)7-9(2)8-11(3,4)5/h6,9-10,12H,1,7-8H2,2-5H3 |
InChIKey | DZVCXBHGDQRWRP-UHFFFAOYSA-N |
Mol Weight | 170.3 g/mol |
Molecular Formula | C11H22O |
Exact Mass | 170.167065 g/mol |
SpectraBase Spectrum ID | JRzU678SyWx |
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Name | 1-Octen-3-ol, 5,7,7-trimethyl- |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 170.167065327 u |
Formula | C11H22O |
InChI | InChI=1S/C11H22O/c1-6-10(12)7-9(2)8-11(3,4)5/h6,9-10,12H,1,7-8H2,2-5H3 |
InChIKey | DZVCXBHGDQRWRP-UHFFFAOYSA-N |
Molecular Weight | 170.296 g/mol |
SMILES | OC(CC(CC(C)(C)C)C)C=C |
Spectrum/Structure Validation Score (Raman) | 0.957765 |