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4-hydroxy-3,5-di(propan-2-yl)benzenesulfonic acid methyl ester
SpectraBase Compound ID 2BPqArgRBBU
InChI InChI=1S/C13H20O4S/c1-8(2)11-6-10(18(15,16)17-5)7-12(9(3)4)13(11)14/h6-9,14H,1-5H3
InChIKey PQIIOMBIBBQSPZ-UHFFFAOYSA-N
Mol Weight 272.36 g/mol
Molecular Formula C13H20O4S
Exact Mass 272.10823 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KTvL2LcteRD
Name 4-hydroxy-3,5-di(propan-2-yl)benzenesulfonic acid methyl ester
Comments Less than 3 mono-isotopic peaks
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Formula C13H20O4S
InChI InChI=1S/C13H20O4S/c1-8(2)11-6-10(18(15,16)17-5)7-12(9(3)4)13(11)14/h6-9,14H,1-5H3
InChIKey PQIIOMBIBBQSPZ-UHFFFAOYSA-N
Molecular Weight 272.359 g/mol
SMILES Oc1c(cc(S(=O)(=O)OC)cc1C(C)C)C(C)C
SPLASH splash10-0a4i-0090000000-0a276c90ffa0349c2a0f
Source of Spectrum F2-41-1851-6
Synonyms 4-hydroxy-3,5-diisopropyl-benzenesulfonic acid methyl ester methyl 4-hydroxy-3,5-di(propan-2-yl)benzenesulfonate methyl 4-hydroxy-3,5-diisopropyl-benzenesulfonate methyl 4-oxidanyl-3,5-di(propan-2-yl)benzenesulfonate
Wiley ID 1599683