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Ethyl 2-ethyl-3-hydroxy-2-phenylthiobutanoate
SpectraBase Compound ID 2HnEXy1HXF6
InChI InChI=1S/C14H20O3S/c1-4-14(11(3)15,13(16)17-5-2)18-12-9-7-6-8-10-12/h6-11,15H,4-5H2,1-3H3
InChIKey XTNAABFVQNQHGW-UHFFFAOYSA-N
Mol Weight 268.37 g/mol
Molecular Formula C14H20O3S
Exact Mass 268.113316 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ljr3AkWQhaW
Name Ethyl 2-ethyl-3-hydroxy-2-phenylthiobutanoate
CAS Registry Number 108362-30-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20O3S
InChI InChI=1S/C14H20O3S/c1-4-14(11(3)15,13(16)17-5-2)18-12-9-7-6-8-10-12/h6-11,15H,4-5H2,1-3H3
InChIKey XTNAABFVQNQHGW-UHFFFAOYSA-N
Molecular Weight 268.371 g/mol
SMILES OC(C(C(=O)OCC)(Sc1ccccc1)CC)C
SPLASH splash10-0hb9-0940000000-d5ef02477b52bfbf65f7
Source of Spectrum KC-1986-1700-24
Synonyms Ethyl 2-ethyl-3-hydroxy-2-(phenylsulfanyl)butanoate
Wiley ID 1271975