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Methyl 3-Heptyl-2-hydroxy-6-methyl-5-tosylbenzoate
SpectraBase Compound ID 4WuZ6gVhkc7
InChI InChI=1S/C23H30O5S/c1-5-6-7-8-9-10-18-15-20(17(3)21(22(18)24)23(25)28-4)29(26,27)19-13-11-16(2)12-14-19/h11-15,24H,5-10H2,1-4H3
InChIKey JOWFBMMUYKUXFO-UHFFFAOYSA-N
Mol Weight 418.55 g/mol
Molecular Formula C23H30O5S
Exact Mass 418.181395 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4OzsmhMMk91
Name Methyl 3-Heptyl-2-hydroxy-6-methyl-5-tosylbenzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H30O5S
InChI InChI=1S/C23H30O5S/c1-5-6-7-8-9-10-18-15-20(17(3)21(22(18)24)23(25)28-4)29(26,27)19-13-11-16(2)12-14-19/h11-15,24H,5-10H2,1-4H3
InChIKey JOWFBMMUYKUXFO-UHFFFAOYSA-N
Molecular Weight 418.548 g/mol
SMILES Oc1c(cc(S(c2ccc(cc2)C)(=O)=O)c(c1C(=O)OC)C)CCCCCCC
SPLASH splash10-0ldi-1119400000-db035086bcb74594c6fa
Source of Spectrum F4-41-2230-4p
Wiley ID 1672587