SpectraBase Compound ID | GqUu2YZ8bvl |
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InChI | InChI=1S/C8H15ClO3/c1-8(2,3)6-12-7(10)11-5-4-9/h4-6H2,1-3H3 |
InChIKey | NYIQAUKWXYWVSR-UHFFFAOYSA-N |
Mol Weight | 194.66 g/mol |
Molecular Formula | C8H15ClO3 |
Exact Mass | 194.070972 g/mol |
SpectraBase Spectrum ID | 7YqFx7F19bF |
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Name | Carbonic acid, 2-chloroethyl neopentyl ester |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 194.070972040 u |
Formula | C8H15ClO3 |
InChI | InChI=1S/C8H15ClO3/c1-8(2,3)6-12-7(10)11-5-4-9/h4-6H2,1-3H3 |
InChIKey | NYIQAUKWXYWVSR-UHFFFAOYSA-N |
Molecular Weight | 194.658 g/mol |
SMILES | C(COC(=O)OCC(C)(C)C)Cl |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.954677 |