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R,S-2-ACETYLAMINO-4-[N-(4-BROMOPHENYL)-THIOCARBAMOYLTHIO]-BUTYRIC-ACID
SpectraBase Compound ID LM4XIHUQoBI
InChI InChI=1S/C13H15BrN2O3S2/c1-8(17)15-11(12(18)19)6-7-21-13(20)16-10-4-2-9(14)3-5-10/h2-5,11H,6-7H2,1H3,(H,15,17)(H,16,20)(H,18,19)
InChIKey UPURBWBVIOFXIN-UHFFFAOYSA-N
Mol Weight 391.3 g/mol
Molecular Formula C13H15BrN2O3S2
Exact Mass 389.970748 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5jzyfgQoKIh
Name R,S-2-ACETYLAMINO-4-[N-(4-BROMOPHENYL)-THIOCARBAMOYLTHIO]-BUTYRIC-ACID
Compound Number 3W
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H15BrN2O3S2
InChI InChI=1S/C13H15BrN2O3S2/c1-8(17)15-11(12(18)19)6-7-21-13(20)16-10-4-2-9(14)3-5-10/h2-5,11H,6-7H2,1H3,(H,15,17)(H,16,20)(H,18,19)
InChIKey UPURBWBVIOFXIN-UHFFFAOYSA-N
Literature Reference Author W.HANEFELD,H.SCHUETZ
Literature Reference Citation J.HETCYCL.CHEM.,36,1167(1999)
Literature Reference DOI 10.1002/jhet.5570360509
Molecular Weight 391.298 g/mol
Solvent DMSO-D6
Source File Reference UWSI24539