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2,4,4-Trimethyl-1-pentanol, 2-methylpropionate
SpectraBase Compound ID 1m5wIFhC3VF
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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GbCexA560yW
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