SpectraBase Compound ID | 1geEIv3Qtjq |
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InChI | InChI=1S/C10H20O3/c1-6-12-9(3)13-10(4,5)7-8(2)11/h9H,6-7H2,1-5H3 |
InChIKey | MITABMTZEQWZEM-UHFFFAOYSA-N |
Mol Weight | 188.27 g/mol |
Molecular Formula | C10H20O3 |
Exact Mass | 188.141245 g/mol |
SpectraBase Spectrum ID | 8qPIYnQidf0 |
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Name | 4-(1-Ethoxyethoxy)-4-methyl-2-pentanone |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 188.141244501 u |
Formula | C10H20O3 |
InChI | InChI=1S/C10H20O3/c1-6-12-9(3)13-10(4,5)7-8(2)11/h9H,6-7H2,1-5H3 |
InChIKey | MITABMTZEQWZEM-UHFFFAOYSA-N |
Molecular Weight | 188.267 g/mol |
SMILES | CC(CC(C)(C)OC(C)OCC)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.892934 |