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Methyl-3,7,11,15-tetramethyl-13-phenyl sulfonyl-2,6,10,14-hexadecatetraenoate

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Methyl-3,7,11,15-tetramethyl-13-phenyl sulfonyl-2,6,10,14-hexadecatetraenoate
SpectraBase Compound ID AxJRWSSqufo
InChI InChI=1S/C27H38O4S/c1-21(2)18-26(32(29,30)25-16-8-7-9-17-25)19-23(4)14-10-12-22(3)13-11-15-24(5)20-27(28)31-6/h7-9,13-14,16-18,20,26H,10-12,15,19H2,1-6H3/b22-13+,23-14+,24-20+
InChIKey CSDBBFCJIDUCSX-UTMHZFIYSA-N
Mol Weight 458.7 g/mol
Molecular Formula C27H38O4S
Exact Mass 458.249081 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3XwXqVXhxKy
Name Methyl-3,7,11,15-tetramethyl-13-phenyl sulfonyl-2,6,10,14-hexadecatetraenoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 458.249080874 u
Formula C27H38O4S
InChI InChI=1S/C27H38O4S/c1-21(2)18-26(32(29,30)25-16-8-7-9-17-25)19-23(4)14-10-12-22(3)13-11-15-24(5)20-27(28)31-6/h7-9,13-14,16-18,20,26H,10-12,15,19H2,1-6H3/b22-13+,23-14+,24-20+
InChIKey CSDBBFCJIDUCSX-UTMHZFIYSA-N
Molecular Weight 458.657 g/mol
SMILES C(S(=O)(=O)C1=CC=CC=C1)(C=C(C)C)C\C(=C\CC\C(=C\CC\C(=C\C(=O)OC)C)C)C