SpectraBase Compound ID | LwIGt1KNKUs |
---|---|
InChI | InChI=1S/C10H18O4/c1-9(11-5-3-6-12-9)10(2)13-7-4-8-14-10/h3-8H2,1-2H3 |
InChIKey | FCMGJFJKEDBTJC-UHFFFAOYSA-N |
Mol Weight | 202.25 g/mol |
Molecular Formula | C10H18O4 |
Exact Mass | 202.120509 g/mol |
SpectraBase Spectrum ID | ImMdK6n8xtS |
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Name | 2,2'-bi-1,3-Dioxane, 2,2'-dimethyl- |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 202.120509056 u |
Formula | C10H18O4 |
InChI | InChI=1S/C10H18O4/c1-9(11-5-3-6-12-9)10(2)13-7-4-8-14-10/h3-8H2,1-2H3 |
InChIKey | FCMGJFJKEDBTJC-UHFFFAOYSA-N |
Molecular Weight | 202.250 g/mol |
SMILES | C1(C2(OCCCO2)C)(OCCCO1)C |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.950561 |