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2,4-Hexanediol, 5-[2-(3-hydroxy-1-propen-1-yl)-4-methylphenyl]-3-methyl-, triacetate

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2,4-Hexanediol, 5-[2-(3-hydroxy-1-propen-1-yl)-4-methylphenyl]-3-methyl-, triacetate
SpectraBase Compound ID DtI8zsCs7tQ
InChI InChI=1S/C23H32O6/c1-14-10-11-22(21(13-14)9-8-12-27-18(5)24)16(3)23(29-20(7)26)15(2)17(4)28-19(6)25/h8-11,13,15-17,23H,12H2,1-7H3/b9-8+
InChIKey ZYHGWGCNIUPRRG-CMDGGOBGSA-N
Mol Weight 404.5 g/mol
Molecular Formula C23H32O6
Exact Mass 404.219889 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7ZEeNtStiR5
Name 2,4-Hexanediol, 5-[2-(3-hydroxy-1-propen-1-yl)-4-methylphenyl]-3-methyl-, triacetate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 404.219888744 u
Formula C23H32O6
InChI InChI=1S/C23H32O6/c1-14-10-11-22(21(13-14)9-8-12-27-18(5)24)16(3)23(29-20(7)26)15(2)17(4)28-19(6)25/h8-11,13,15-17,23H,12H2,1-7H3/b9-8+
InChIKey ZYHGWGCNIUPRRG-CMDGGOBGSA-N
Molecular Weight 404.503 g/mol
SMILES CC(C(C(C(C)C1=C(C=C(C=C1)C)\C=C\COC(C)=O)OC(C)=O)C)OC(C)=O