SpectraBase Compound ID | H5DXiZH5VFW |
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InChI | InChI=1S/C11H22O2/c1-5-6-7-8-9-10(12)13-11(2,3)4/h5-9H2,1-4H3 |
InChIKey | WLUUTGIJNRNHRF-UHFFFAOYSA-N |
Mol Weight | 186.29 g/mol |
Molecular Formula | C11H22O2 |
Exact Mass | 186.16198 g/mol |
SpectraBase Spectrum ID | 8l7lKW0MtDD |
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Name | Heptanoic acid, 1,1-dimethylethyl ester |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 186.161979946 u |
Formula | C11H22O2 |
InChI | InChI=1S/C11H22O2/c1-5-6-7-8-9-10(12)13-11(2,3)4/h5-9H2,1-4H3 |
InChIKey | WLUUTGIJNRNHRF-UHFFFAOYSA-N |
Molecular Weight | 186.295 g/mol |
SMILES | C(=O)(CCCCCC)OC(C)(C)C |