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Phthalic acid, 2,7-dimethyloct-7-en-5-yn-4-yl isohexyl ester

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Phthalic acid, 2,7-dimethyloct-7-en-5-yn-4-yl isohexyl ester
SpectraBase Compound ID J7uTF0CkCUF
InChI InChI=1S/C24H32O4/c1-17(2)10-9-15-27-23(25)21-11-7-8-12-22(21)24(26)28-20(16-19(5)6)14-13-18(3)4/h7-8,11-12,17,19-20H,3,9-10,15-16H2,1-2,4-6H3
InChIKey MUDUXPVSKFWFMA-UHFFFAOYSA-N
Mol Weight 384.5 g/mol
Molecular Formula C24H32O4
Exact Mass 384.23006 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5n4aYGReIr3
Name Phthalic acid, 2,7-dimethyloct-7-en-5-yn-4-yl isohexyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 384.230059506 u
Formula C24H32O4
InChI InChI=1S/C24H32O4/c1-17(2)10-9-15-27-23(25)21-11-7-8-12-22(21)24(26)28-20(16-19(5)6)14-13-18(3)4/h7-8,11-12,17,19-20H,3,9-10,15-16H2,1-2,4-6H3
InChIKey MUDUXPVSKFWFMA-UHFFFAOYSA-N
Molecular Weight 384.516 g/mol
SMILES C(C1=C(C=CC=C1)C(OC(CC(C)C)C#CC(C)=C)=O)(OCCCC(C)C)=O