SpectraBase Compound ID | G8Hzq3yF43C |
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InChI | InChI=1S/C9H18O3/c1-3-9(4-2)11-6-8(5-10)7-12-9/h8,10H,3-7H2,1-2H3 |
InChIKey | NOLGLSRGKHMZMS-UHFFFAOYSA-N |
Mol Weight | 174.24 g/mol |
Molecular Formula | C9H18O3 |
Exact Mass | 174.125594 g/mol |
SpectraBase Spectrum ID | IHniStM2oAZ |
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Name | (2,2-Diethyl-1,3-dioxan-5-yl)methanol |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 174.125594437 u |
Formula | C9H18O3 |
InChI | InChI=1S/C9H18O3/c1-3-9(4-2)11-6-8(5-10)7-12-9/h8,10H,3-7H2,1-2H3 |
InChIKey | NOLGLSRGKHMZMS-UHFFFAOYSA-N |
Molecular Weight | 174.240 g/mol |
SMILES | C1(OCC(CO1)CO)(CC)CC |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.962481 |