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Propanoic acid, 3-[[3-(4-bromophenyl)-3-hydroxy-1-thioxo-2-propenyl]thio]-, ethyl ester
SpectraBase Compound ID G2taGk7sYn4
InChI InChI=1S/C14H15BrO3S2/c1-2-18-13(17)7-8-20-14(19)9-12(16)10-3-5-11(15)6-4-10/h3-6,9,16H,2,7-8H2,1H3/b12-9-
InChIKey JBXKESMFJOXKLZ-XFXZXTDPSA-N
Mol Weight 375.3 g/mol
Molecular Formula C14H15BrO3S2
Exact Mass 373.9646 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GMZ6n0OXTcM
Name Propanoic acid, 3-[[3-(4-bromophenyl)-3-hydroxy-1-thioxo-2-propenyl]thio]-, ethyl ester
CAS Registry Number 56248-41-0
Comments Structure changed after expert review
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H15BrO3S2
InChI InChI=1S/C14H15BrO3S2/c1-2-18-13(17)7-8-20-14(19)9-12(16)10-3-5-11(15)6-4-10/h3-6,9,16H,2,7-8H2,1H3/b12-9-
InChIKey JBXKESMFJOXKLZ-XFXZXTDPSA-N
Molecular Weight 375.295 g/mol
SMILES O\C(=C/C(SCCC(OCC)=O)=S)c1ccc(cc1)Br
SPLASH splash10-053f-2940000000-a1a14ae36eb72a49f443
Source of Spectrum F-28-5350-8
Synonyms Ethyl 3-([(2Z)-3-(4-bromophenyl)-3-hydroxy-2-propenethioyl]sulfanyl)propanoate
Wiley ID 1356325