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o-(methylthio)benzenesulfonic acid, neopentyl ester
SpectraBase Compound ID 6mz7eOUoFmp
InChI InChI=1S/C12H18O3S2/c1-12(2,3)9-15-17(13,14)11-8-6-5-7-10(11)16-4/h5-8H,9H2,1-4H3
InChIKey NDOARMHJBDZHFD-UHFFFAOYSA-N
Mol Weight 274.39 g/mol
Molecular Formula C12H18O3S2
Exact Mass 274.069737 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6VaUOadmURc
Name o-(METHYLTHIO)BENZENESULFONIC ACID, NEOPENTYL ESTER
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O3S2
InChI InChI=1S/C12H18O3S2/c1-12(2,3)9-15-17(13,14)11-8-6-5-7-10(11)16-4/h5-8H,9H2,1-4H3
InChIKey NDOARMHJBDZHFD-UHFFFAOYSA-N
Molecular Weight 274.40
Solvent Chloroform-d; Reference=TMS Spectrometer= Bruker AC-300
Synonyms BENZENESULFONIC ACID, o-(METHYLTHIO)-, NEOPENTYL ESTER