SpectraBase Compound ID | 6wTBQCZmque |
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InChI | InChI=1S/C11H22O3/c1-4-6-9-8-11(12-3)14-10(13-9)7-5-2/h9-11H,4-8H2,1-3H3 |
InChIKey | GSEVUMXNMWEXJR-UHFFFAOYSA-N |
Mol Weight | 202.29 g/mol |
Molecular Formula | C11H22O3 |
Exact Mass | 202.156895 g/mol |
SpectraBase Spectrum ID | 3LnFAunxK86 |
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Name | 4-Methoxy-2,6-dipropyl-1,3-dioxane |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 202.156894565 u |
Formula | C11H22O3 |
InChI | InChI=1S/C11H22O3/c1-4-6-9-8-11(12-3)14-10(13-9)7-5-2/h9-11H,4-8H2,1-3H3 |
InChIKey | GSEVUMXNMWEXJR-UHFFFAOYSA-N |
Molecular Weight | 202.294 g/mol |
SMILES | C1(OC(OC(C1)CCC)CCC)OC |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.820831 |