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Malonic acid, 2-(4-ethylthiophenyl)-2-hydroxy-, diisobutyl ester
SpectraBase Compound ID 9Sau1P0LWW2
InChI InChI=1S/C19H28O5S/c1-6-25-16-9-7-15(8-10-16)19(22,17(20)23-11-13(2)3)18(21)24-12-14(4)5/h7-10,13-14,22H,6,11-12H2,1-5H3
InChIKey XWTWGXRJJQYRFG-UHFFFAOYSA-N
Mol Weight 368.49 g/mol
Molecular Formula C19H28O5S
Exact Mass 368.165745 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IbTU2RQfYi5
Name MALONIC ACID, 2-(4-ETHYLTHIOPHENYL)-2-HYDROXY-, DIISOBUTYL ESTER
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C19H28O5S
InChI InChI=1S/C19H28O5S/c1-6-25-16-9-7-15(8-10-16)19(22,17(20)23-11-13(2)3)18(21)24-12-14(4)5/h7-10,13-14,22H,6,11-12H2,1-5H3
InChIKey XWTWGXRJJQYRFG-UHFFFAOYSA-N
Instrument Name 311A
Molecular Weight 368.1650
SMILES OC(c1ccc(SCC)cc1)(C(OCC(C)C)=O)C(=O)OCC(C)C
SPLASH splash10-014i-6971000000-7ab9bfff284641c5840c
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany