SpectraBase Compound ID | DNYFuoqMh7Q |
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InChI | InChI=1S/C7H14O2/c1-2-7(9)5-3-4-6-8/h3-4,7-9H,2,5-6H2,1H3/b4-3- |
InChIKey | IGSAYOVDDQRCFN-ARJAWSKDSA-N |
Mol Weight | 130.19 g/mol |
Molecular Formula | C7H14O2 |
Exact Mass | 130.09938 g/mol |
SpectraBase Spectrum ID | 13zYXCQ69Gg |
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Name | (Z)-Hept-2-ene-1,5-diol |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 130.099379689 u |
Formula | C7H14O2 |
InChI | InChI=1S/C7H14O2/c1-2-7(9)5-3-4-6-8/h3-4,7-9H,2,5-6H2,1H3/b4-3- |
InChIKey | IGSAYOVDDQRCFN-ARJAWSKDSA-N |
Molecular Weight | 130.187 g/mol |
SMILES | C(\C=C/CC(O)CC)O |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.950782 |