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P-Toluenesulfonic acid, isobutyl ester

View entire compound with spectra: 3 NMR, 4 FTIR, and 1 Raman

P-Toluenesulfonic acid, isobutyl ester
SpectraBase Compound ID 5R3Qg5TXhuc
InChI InChI=1S/C11H16O3S/c1-9(2)8-14-15(12,13)11-6-4-10(3)5-7-11/h4-7,9H,8H2,1-3H3
InChIKey QIMRPGAQCKHRKB-UHFFFAOYSA-N
Mol Weight 228.31 g/mol
Molecular Formula C11H16O3S
Exact Mass 228.082016 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID 6wIjkt3zxBr
Name Isobutyl p-toluenesulfonate
Source of Sample Alfa Aesar, Thermo Fisher Scientific
Catalog Number B20080
Lot Number 10123206
CAS Registry Number 4873-56-7
Copyright Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H16O3S
InChI InChI=1S/C11H16O3S/c1-9(2)8-14-15(12,13)11-6-4-10(3)5-7-11/h4-7,9H,8H2,1-3H3
InChIKey QIMRPGAQCKHRKB-UHFFFAOYSA-N
Instrument Name Bruker Tensor 27 FT-IR
Molecular Weight 228.306 g/mol
Purity 97%
Sample Type Organic
Source of Spectrum Bio-Rad Laboratories, Inc.
Technique ATR-Neat (DuraSamplIR II)