SpectraBase Compound ID | 9pDz0prAOON |
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InChI | InChI=1S/C8H14O2/c1-4-7-5-9-8(2,3)10-6-7/h4H,5-6H2,1-3H3 |
InChIKey | GSGNGQQICADXJH-UHFFFAOYSA-N |
Mol Weight | 142.2 g/mol |
Molecular Formula | C8H14O2 |
Exact Mass | 142.09938 g/mol |
SpectraBase Spectrum ID | IvAtfjwARqF |
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Name | 1,3-Dioxane, 2,2-dimethyl-5-ethylidene- |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 142.099379689 u |
Formula | C8H14O2 |
InChI | InChI=1S/C8H14O2/c1-4-7-5-9-8(2,3)10-6-7/h4H,5-6H2,1-3H3 |
InChIKey | GSGNGQQICADXJH-UHFFFAOYSA-N |
Molecular Weight | 142.198 g/mol |
SMILES | C1C(=CC)COC(C)(C)O1 |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.955557 |