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Butanoic acid, 2-methyl-, 2-[4-methyl-2-(2-methyl-1-oxopropoxy)phenyl]-2-propenyl ester
SpectraBase Compound ID CL7ehUpQZHp
InChI InChI=1S/C19H26O4/c1-7-14(5)19(21)22-11-15(6)16-9-8-13(4)10-17(16)23-18(20)12(2)3/h8-10,12,14H,6-7,11H2,1-5H3
InChIKey VCFDBLXIHNOCLD-UHFFFAOYSA-N
Mol Weight 318.41 g/mol
Molecular Formula C19H26O4
Exact Mass 318.183109 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DfXFihhTIXo
Name Butanoic acid, 2-methyl-, 2-[4-methyl-2-(2-methyl-1-oxopropoxy)phenyl]-2-propenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 318.183109313 u
Formula C19H26O4
InChI InChI=1S/C19H26O4/c1-7-14(5)19(21)22-11-15(6)16-9-8-13(4)10-17(16)23-18(20)12(2)3/h8-10,12,14H,6-7,11H2,1-5H3
InChIKey VCFDBLXIHNOCLD-UHFFFAOYSA-N
Molecular Weight 318.413 g/mol
SMILES C=1(OC(=O)C(C)C)C(C(COC(=O)C(CC)C)=C)=CC=C(C1)C