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Methyl 3-Hexyl-2-hydroxy-6-methyl-5-tosylbenzoate
SpectraBase Compound ID EDOn5D1WLu5
InChI InChI=1S/C22H28O5S/c1-5-6-7-8-9-17-14-19(16(3)20(21(17)23)22(24)27-4)28(25,26)18-12-10-15(2)11-13-18/h10-14,23H,5-9H2,1-4H3
InChIKey RMKHQRLDQGBCGF-UHFFFAOYSA-N
Mol Weight 404.52 g/mol
Molecular Formula C22H28O5S
Exact Mass 404.165745 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7psGrlTJOuq
Name Methyl 3-Hexyl-2-hydroxy-6-methyl-5-tosylbenzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H28O5S
InChI InChI=1S/C22H28O5S/c1-5-6-7-8-9-17-14-19(16(3)20(21(17)23)22(24)27-4)28(25,26)18-12-10-15(2)11-13-18/h10-14,23H,5-9H2,1-4H3
InChIKey RMKHQRLDQGBCGF-UHFFFAOYSA-N
Molecular Weight 404.521 g/mol
SMILES Oc1c(cc(S(c2ccc(cc2)C)(=O)=O)c(c1C(=O)OC)C)CCCCCC
SPLASH splash10-0udi-0009100000-2d0b5187ee1fb54dca40
Source of Spectrum F4-41-2230-4o
Wiley ID 1672588