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10,10,10-Tris[ (4'-toluenesulfonyloxy)methyl ] decene

View entire compound with spectra: 1 NMR, and 1 MS (GC)

10,10,10-Tris[ (4'-toluenesulfonyloxy)methyl ] decene
SpectraBase Compound ID Aa6RobG8Asu
InChI InChI=1S/C34H44O9S3/c1-5-6-7-8-9-10-11-24-34(25-41-44(35,36)31-18-12-28(2)13-19-31,26-42-45(37,38)32-20-14-29(3)15-21-32)27-43-46(39,40)33-22-16-30(4)17-23-33/h5,12-23H,1,6-11,24-27H2,2-4H3
InChIKey KTXBFKVKGJKXCS-UHFFFAOYSA-N
Mol Weight 692.9 g/mol
Molecular Formula C34H44O9S3
Exact Mass 692.214747 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3lWY8KrwDeo
Name 10,10,10-Tris[ (4'-toluenesulfonyloxy)methyl ] decene
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 692.214746510 u
Formula C34H44O9S3
InChI InChI=1S/C34H44O9S3/c1-5-6-7-8-9-10-11-24-34(25-41-44(35,36)31-18-12-28(2)13-19-31,26-42-45(37,38)32-20-14-29(3)15-21-32)27-43-46(39,40)33-22-16-30(4)17-23-33/h5,12-23H,1,6-11,24-27H2,2-4H3
InChIKey KTXBFKVKGJKXCS-UHFFFAOYSA-N
Molecular Weight 692.897 g/mol
SMILES C=1(S(OCC(COS(C=2C=CC(=CC2)C)(=O)=O)(COS(C=2C=CC(=CC2)C)(=O)=O)CCCCCCCC=C)(=O)=O)C=CC(=CC1)C