SpectraBase Compound ID | Bs0MvcnmSdL |
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InChI | InChI=1S/C8H14O4/c1-6(9)10-4-7-5-11-8(2,3)12-7/h7H,4-5H2,1-3H3 |
InChIKey | CKCWECNJFXXSQU-UHFFFAOYSA-N |
Mol Weight | 174.2 g/mol |
Molecular Formula | C8H14O4 |
Exact Mass | 174.089209 g/mol |
SpectraBase Spectrum ID | 2J8ux431nlm |
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Name | 1,3-Dioxolane-4-methanol, 2,2-dimethyl-, acetate |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 174.089208927 u |
Formula | C8H14O4 |
InChI | InChI=1S/C8H14O4/c1-6(9)10-4-7-5-11-8(2,3)12-7/h7H,4-5H2,1-3H3 |
InChIKey | CKCWECNJFXXSQU-UHFFFAOYSA-N |
Molecular Weight | 174.196 g/mol |
SMILES | C(OC(C)=O)C1OC(C)(C)OC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.949388 |