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p-toluenesulfonic acid, butyl ester
SpectraBase Compound ID ARJ4ZUy0yy2
InChI InChI=1S/C11H16O3S/c1-3-4-9-14-15(12,13)11-7-5-10(2)6-8-11/h5-8H,3-4,9H2,1-2H3
InChIKey QYJXDIUNDMRLAO-UHFFFAOYSA-N
Mol Weight 228.31 g/mol
Molecular Formula C11H16O3S
Exact Mass 228.082016 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4BRVefej2XA
Name Butyl 4-methylbenzenesulfonate
CAS Registry Number 778-28-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H16O3S
InChI InChI=1S/C11H16O3S/c1-3-4-9-14-15(12,13)11-7-5-10(2)6-8-11/h5-8H,3-4,9H2,1-2H3
InChIKey QYJXDIUNDMRLAO-UHFFFAOYSA-N
Molecular Weight 228.306 g/mol
SMILES c1(S(=O)(=O)OCCCC)ccc(C)cc1
SPLASH splash10-0596-9400000000-d15ad79439f836ab13fb
Source of Spectrum IC-605-0-0
Synonyms 4-Methylbenzenesulfonic acid butyl ester Benzenesulfonic acid, 4-methyl-, butyl ester Butyl ester of 4-toluenesulfonic acid Butyl p-methylbenzenesulfonate Butyl p-toluenesulfonate Butyl para-toluenesulfonate Butyl toluene-4-sulphonate Butyl tosylate n-Butyl p-toluenesulfonate p-Toluene sulfonic acid, butyl ester AI3-02551 BRN 1428508 EINECS 212-295-5 NSC 6190
Wiley ID 1229353