SpectraBase Compound ID | 2LBy0Go4vF8 |
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InChI | InChI=1S/C7H14O3/c1-5(2)7-9-3-6(8)4-10-7/h5-8H,3-4H2,1-2H3 |
InChIKey | VYVKGTCKMKMIQQ-UHFFFAOYSA-N |
Mol Weight | 146.19 g/mol |
Molecular Formula | C7H14O3 |
Exact Mass | 146.094294 g/mol |
SpectraBase Spectrum ID | HF7MSEpo6lT |
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Name | cis-2-(Methylethyl)-1,3-dioxan-5-ol |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 146.094294308 u |
Formula | C7H14O3 |
InChI | InChI=1S/C7H14O3/c1-5(2)7-9-3-6(8)4-10-7/h5-8H,3-4H2,1-2H3 |
InChIKey | VYVKGTCKMKMIQQ-UHFFFAOYSA-N |
Molecular Weight | 146.186 g/mol |
SMILES | C1(O)COC(C(C)C)OC1 |
Spectrum/Structure Validation Score (Raman) | 0.97892 |