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Thiadipropyl phenylglyoxylate
SpectraBase Compound ID Je3A3YIk2Mb
InChI InChI=1S/C22H22O6S/c23-19(17-9-3-1-4-10-17)21(25)27-13-7-15-29-16-8-14-28-22(26)20(24)18-11-5-2-6-12-18/h1-6,9-12H,7-8,13-16H2
InChIKey HSUOIDKYFCLJRZ-UHFFFAOYSA-N
Mol Weight 414.47 g/mol
Molecular Formula C22H22O6S
Exact Mass 414.11371 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AOoW0b0Queh
Name Thiadipropyl phenylglyoxylate
Alternate Name(s) 3-({3-[(2-oxo-2-phenylacetyl)oxy]propyl}sulfanyl)propyl oxo(phenyl)acetate Oxo-phenyl-acetic acid 3-[3-(2-oxo-2-phenyl-acetoxy)-propylsulfanyl]-propyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H22O6S
InChI InChI=1S/C22H22O6S/c23-19(17-9-3-1-4-10-17)21(25)27-13-7-15-29-16-8-14-28-22(26)20(24)18-11-5-2-6-12-18/h1-6,9-12H,7-8,13-16H2
InChIKey HSUOIDKYFCLJRZ-UHFFFAOYSA-N
Molecular Weight 414.472 g/mol
SMILES C(C(=O)OCCCSCCCOC(C(=O)c1ccccc1)=O)(=O)c1ccccc1
SPLASH splash10-0a4i-4900000000-d37c5b9ac715e8ef1fd1
Source of Spectrum F-53-2764-9
Wiley ID 800635