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8-(benzyloxy)octyl 4-methylbenzenesulfonate
SpectraBase Compound ID 5qKRtb0N8DV
InChI InChI=1S/C22H30O4S/c1-20-13-15-22(16-14-20)27(23,24)26-18-10-5-3-2-4-9-17-25-19-21-11-7-6-8-12-21/h6-8,11-16H,2-5,9-10,17-19H2,1H3
InChIKey MPICJMKEAOFDJV-UHFFFAOYSA-N
Mol Weight 390.54 g/mol
Molecular Formula C22H30O4S
Exact Mass 390.186481 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DyzLd2btmvw
Name 8-(benzyloxy)octyl 4-methylbenzenesulfonate
Appearance Yellow oil
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Formula C22H30O4S
InChI InChI=1S/C22H30O4S/c1-20-13-15-22(16-14-20)27(23,24)26-18-10-5-3-2-4-9-17-25-19-21-11-7-6-8-12-21/h6-8,11-16H,2-5,9-10,17-19H2,1H3
InChIKey MPICJMKEAOFDJV-UHFFFAOYSA-N
Instrument Name GCMS
Ionization Type EI
Molecular Weight 390.538 g/mol
Quality 113
SMILES C1(=CC=CC=C1)COCCCCCCCCOS(C1=CC=C(C=C1)C)(=O)=O
SPLASH splash10-0006-9600000000-fad6df5f41efd78759a1
Source of Spectrum WO2023089158A1
Wiley ID 1897253