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mercaptoacetic acid, triester with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol

View entire compound with spectra: 5 NMR, 3 FTIR, and 1 Raman

mercaptoacetic acid, triester with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol
SpectraBase Compound ID 4dFXeCh0RR3
InChI InChI=1S/C12H20O6S3/c1-2-12(6-16-9(13)3-19,7-17-10(14)4-20)8-18-11(15)5-21/h19-21H,2-8H2,1H3
InChIKey KAJBSGLXSREIHP-UHFFFAOYSA-N
Mol Weight 356.47 g/mol
Molecular Formula C12H20O6S3
Exact Mass 356.042202 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HRQg9uewpkG
Name mercaptoacetic acid, triester with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol
Source of Sample Carlisle Chemical Works Inc., Reading, Ohio
Copyright Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H20O6S3
InChI InChI=1S/C12H20O6S3/c1-2-12(6-16-9(13)3-19,7-17-10(14)4-20)8-18-11(15)5-21/h19-21H,2-8H2,1H3
InChIKey KAJBSGLXSREIHP-UHFFFAOYSA-N
Instrument Name Varian A-60
Sadtler NMR Number 6306M
Solvent CDCl3
Synonyms 1,3-PROPANEDIOL, 2-ETHYL-2-/HYDROXY- METHYL/-, TRIS/MERCAPTOACETATE/