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2-[(acetylthio)methyl]-3-(3-bromophenyl)propionic acid

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2-[(acetylthio)methyl]-3-(3-bromophenyl)propionic acid
SpectraBase Compound ID 8xgF58s1PnP
InChI InChI=1S/C12H13BrO3S/c1-8(14)17-7-10(12(15)16)5-9-3-2-4-11(13)6-9/h2-4,6,10H,5,7H2,1H3,(H,15,16)
InChIKey UPDPVVQALJOODX-UHFFFAOYSA-N
Mol Weight 317.2 g/mol
Molecular Formula C12H13BrO3S
Exact Mass 315.976878 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2bhZ1710k9K
Name 2-[(acetylthio)methyl]-3-(3-bromophenyl)propionic acid
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H13BrO3S
InChI InChI=1S/C12H13BrO3S/c1-8(14)17-7-10(12(15)16)5-9-3-2-4-11(13)6-9/h2-4,6,10H,5,7H2,1H3,(H,15,16)
InChIKey UPDPVVQALJOODX-UHFFFAOYSA-N
Literature Reference Author ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ
Literature Reference Citation UNI_MAINZ,INTERNAL_DB(2006)
Molecular Weight 317.197 g/mol
Source File Reference MHKO20001