SpectraBase Compound ID | 1m5wIFhC3VF |
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InChI | InChI=1S/C12H24O2/c1-9(2)11(13)14-8-10(3)7-12(4,5)6/h9-10H,7-8H2,1-6H3 |
InChIKey | ICZOLLWUAZKBSI-UHFFFAOYSA-N |
Mol Weight | 200.32 g/mol |
Molecular Formula | C12H24O2 |
Exact Mass | 200.17763 g/mol |
SpectraBase Spectrum ID | GbCexA560yW |
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Name | 2,4,4-Trimethyl-1-pentanol, 2-methylpropionate |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 200.177630011 u |
Formula | C12H24O2 |
InChI | InChI=1S/C12H24O2/c1-9(2)11(13)14-8-10(3)7-12(4,5)6/h9-10H,7-8H2,1-6H3 |
InChIKey | ICZOLLWUAZKBSI-UHFFFAOYSA-N |
Molecular Weight | 200.322 g/mol |
SMILES | CC(CC(COC(C(C)C)=O)C)(C)C |