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2-(2-((Isobutyryloxy)methyl)oxiran-2-yl)-5-methylphenyl 2-methylbutanoate, (isomer 1)

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2-(2-((Isobutyryloxy)methyl)oxiran-2-yl)-5-methylphenyl 2-methylbutanoate, (isomer 1)
SpectraBase Compound ID M9psppbICq
InChI InChI=1S/C19H26O5/c1-6-14(5)18(21)24-16-9-13(4)7-8-15(16)19(11-23-19)10-22-17(20)12(2)3/h7-9,12,14H,6,10-11H2,1-5H3
InChIKey CRVMDMUWJDBHRG-UHFFFAOYSA-N
Mol Weight 334.41 g/mol
Molecular Formula C19H26O5
Exact Mass 334.178024 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KH6VsHvNKfv
Name 2-(2-((Isobutyryloxy)methyl)oxiran-2-yl)-5-methylphenyl 2-methylbutanoate, (isomer 1)
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 334.178023932 u
Formula C19H26O5
InChI InChI=1S/C19H26O5/c1-6-14(5)18(21)24-16-9-13(4)7-8-15(16)19(11-23-19)10-22-17(20)12(2)3/h7-9,12,14H,6,10-11H2,1-5H3
InChIKey CRVMDMUWJDBHRG-UHFFFAOYSA-N
Molecular Weight 334.412 g/mol
SMILES C1=CC(=C(C=C1C)OC(C(C)CC)=O)C1(COC(C(C)C)=O)OC1