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3',5'-DIBROMO-2'-HYDROXY-2-MERCAPTOACETOPHENONE, 2-(4-MORPHOLINECARBODITHIOATE)
SpectraBase Compound ID 42C7VDHU4W6
InChI InChI=1S/C13H13Br2NO3S2/c14-8-5-9(12(18)10(15)6-8)11(17)7-21-13(20)16-1-3-19-4-2-16/h5-6,18H,1-4,7H2
InChIKey JVFWXNWQJFZJRD-UHFFFAOYSA-N
Mol Weight 455.18 g/mol
Molecular Formula C13H13Br2NO3S2
Exact Mass 452.870362 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IJdgCkz0AoP
Name 2-(3,5-Dibromo-2-hydroxyphenyl)-2-oxoethyl 4-morpholinecarbodithioate
CAS Registry Number 314034-59-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13Br2NO3S2
InChI InChI=1S/C13H13Br2NO3S2/c14-8-5-9(12(18)10(15)6-8)11(17)7-21-13(20)16-1-3-19-4-2-16/h5-6,18H,1-4,7H2
InChIKey JVFWXNWQJFZJRD-UHFFFAOYSA-N
Molecular Weight 455.179 g/mol
SMILES Oc1c(C(CSC(N2CCOCC2)=S)=O)cc(cc1Br)Br
SPLASH splash10-001i-8910100000-61b3974bd8aff135606a
Source of Spectrum AD-0-2532-0
Synonyms 4-morpholinecarbodithioic acid [2-(3,5-dibromo-2-hydroxyphenyl)-2-oxoethyl] ester [2-(3,5-dibromo-2-hydroxyphenyl)-2-oxoethyl] morpholine-4-carbodithioate [2-(3,5-dibromo-2-hydroxy-phenyl)-2-oxo-ethyl] morpholine-4-carbodithioate [2-[3,5-bis(bromanyl)-2-oxidanyl-phenyl]-2-oxidanylidene-ethyl] morpholine-4-carbodithioate
Wiley ID 1419816