SpectraBase Compound ID | 3UoJuwR1hQB |
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InChI | InChI=1S/C8H18O4/c1-9-6-7-12-5-4-8(10-2)11-3/h8H,4-7H2,1-3H3 |
InChIKey | PNTKDVBROOLVJX-UHFFFAOYSA-N |
Mol Weight | 178.23 g/mol |
Molecular Formula | C8H18O4 |
Exact Mass | 178.120509 g/mol |
SpectraBase Spectrum ID | IX8VMBhVWfD |
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Name | Propane, 1,1-dimethoxy-3-(2-methoxyethoxy)- |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 178.120509056 u |
Formula | C8H18O4 |
InChI | InChI=1S/C8H18O4/c1-9-6-7-12-5-4-8(10-2)11-3/h8H,4-7H2,1-3H3 |
InChIKey | PNTKDVBROOLVJX-UHFFFAOYSA-N |
Molecular Weight | 178.228 g/mol |
SMILES | C(C(OC)OC)COCCOC |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.950047 |