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3-(Toluene-4-sulfonyloxy)butyric acid, methyl ester
SpectraBase Compound ID 5HIfDy0P5wc
InChI InChI=1S/C12H16O5S/c1-9-4-6-11(7-5-9)18(14,15)17-10(2)8-12(13)16-3/h4-7,10H,8H2,1-3H3
InChIKey ZPNXTLBKSJMKNG-UHFFFAOYSA-N
Mol Weight 272.31 g/mol
Molecular Formula C12H16O5S
Exact Mass 272.071845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FkoeXb0uMvE
Name 3-(TOLUENE-4-SULFONYLOXY)BUTYRIC ACID, METHYL ESTER
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H16O5S
InChI InChI=1S/C12H16O5S/c1-9-4-6-11(7-5-9)18(14,15)17-10(2)8-12(13)16-3/h4-7,10H,8H2,1-3H3
InChIKey ZPNXTLBKSJMKNG-UHFFFAOYSA-N
Molecular Weight 272.0714
SMILES c1(C)ccc(S(OC(CC(OC)=O)C)(=O)=O)cc1
SPLASH splash10-066u-9400000000-08cf56e0c79d58fb7501
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany