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4-[2-[(E)-3-Hydroxyprop-1-enyl]-4-methylphenyl]-2-methyl-3-propanoyloxypentanoic acid, o,o-bis-methyl

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4-[2-[(E)-3-Hydroxyprop-1-enyl]-4-methylphenyl]-2-methyl-3-propanoyloxypentanoic acid, o,o-bis-methyl
SpectraBase Compound ID BVxrH3fjBLS
InChI InChI=1S/C21H30O5/c1-7-19(22)26-20(16(4)21(23)25-6)15(3)18-11-10-14(2)13-17(18)9-8-12-24-5/h8-11,13,15-16,20H,7,12H2,1-6H3/b9-8+
InChIKey HGXJEKPQFVHRTB-CMDGGOBGSA-N
Mol Weight 362.47 g/mol
Molecular Formula C21H30O5
Exact Mass 362.209324 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DH52c5DNqOO
Name 4-[2-[(E)-3-Hydroxyprop-1-enyl]-4-methylphenyl]-2-methyl-3-propanoyloxypentanoic acid, o,o-bis-methyl
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 362.209324061 u
Formula C21H30O5
InChI InChI=1S/C21H30O5/c1-7-19(22)26-20(16(4)21(23)25-6)15(3)18-11-10-14(2)13-17(18)9-8-12-24-5/h8-11,13,15-16,20H,7,12H2,1-6H3/b9-8+
InChIKey HGXJEKPQFVHRTB-CMDGGOBGSA-N
Molecular Weight 362.466 g/mol
SMILES C1(\C=C\COC)=CC(C)=CC=C1C(C)C(C(C)C(OC)=O)OC(=O)CC