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5'-bromo-2'-hydroxy-2-mercapto-4'-methylpropiophenone, 2-(1-pyrrolidinecarbodithioate)
SpectraBase Compound ID FY1XUiahxv1
InChI InChI=1S/C15H18BrNO2S2/c1-9-7-13(18)11(8-12(9)16)14(19)10(2)21-15(20)17-5-3-4-6-17/h7-8,10,18H,3-6H2,1-2H3
InChIKey UQSQTPXUXWANHR-UHFFFAOYSA-N
Mol Weight 388.34 g/mol
Molecular Formula C15H18BrNO2S2
Exact Mass 386.996234 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F1H9WkKyJ5s
Name 5'-BROMO-2'-HYDROXY-2-MERCAPTO-4'-METHYLPROPIOPHENONE, 2-(1-PYRROLIDINECARBODITHIOATE)
Source of Sample A. Cascaval, "Al. I. CUZA" University of Iassy, Iasi, Romania
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H18BrNO2S2
InChI InChI=1S/C15H18BrNO2S2/c1-9-7-13(18)11(8-12(9)16)14(19)10(2)21-15(20)17-5-3-4-6-17/h7-8,10,18H,3-6H2,1-2H3
InChIKey UQSQTPXUXWANHR-UHFFFAOYSA-N
Melting Point 96-97C
Molecular Weight 388.35
Solvent Chloroform-d; Reference=TMS Spectrometer= Bruker AC-300
Synonyms PROPIOPHENONE, 5'-BROMO-2'-HYDROXY- 2-MERCAPTO-4'-METHYL-, 2-/1-PYRROLIDINECARBODITHIOATE/ PROPIOPHENONE, 5'-BROMO-2'-HYDROXY- 2-MERCAPTO-4'-METHYL-, 2-/1-PYRROLIDINECARBODITHIOATE/