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Pentane-1,1-diol diacetate
SpectraBase Compound ID 6a1MyG2dtvp
InChI InChI=1S/C9H16O4/c1-4-5-6-9(12-7(2)10)13-8(3)11/h9H,4-6H2,1-3H3
InChIKey BMMOLAZQJQAVKF-UHFFFAOYSA-N
Mol Weight 188.22 g/mol
Molecular Formula C9H16O4
Exact Mass 188.104859 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID oGi6aF6fx9
Name Pentane-1,1-diol diacetate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 188.104858991 u
Formula C9H16O4
InChI InChI=1S/C9H16O4/c1-4-5-6-9(12-7(2)10)13-8(3)11/h9H,4-6H2,1-3H3
InChIKey BMMOLAZQJQAVKF-UHFFFAOYSA-N
Molecular Weight 188.223 g/mol
SMILES CCCCC(OC(=O)C)OC(=O)C