John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=HHNQBcwlBcL SpectraBase Spectrum ID=7PAXDIfSEss

(accessed ).
METHYL_N-PARA-TOLYLSULFONYL-2-BROMO-BETA-ALANINATE
SpectraBase Compound ID HHNQBcwlBcL
InChI InChI=1S/C11H14BrNO4S/c1-8-3-5-9(6-4-8)18(15,16)13-7-10(12)11(14)17-2/h3-6,10,13H,7H2,1-2H3/t10-/m1/s1
InChIKey TYMTWLFWQOSTKP-SNVBAGLBSA-N
Mol Weight 336.2 g/mol
Molecular Formula C11H14BrNO4S
Exact Mass 334.982691 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7PAXDIfSEss
Name METHYL_N-PARA-TOLYLSULFONYL-2-BROMO-BETA-ALANINATE
Compound Number 11
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H14BrNO4S
InChI InChI=1S/C11H14BrNO4S/c1-8-3-5-9(6-4-8)18(15,16)13-7-10(12)11(14)17-2/h3-6,10,13H,7H2,1-2H3/t10-/m1/s1
InChIKey TYMTWLFWQOSTKP-SNVBAGLBSA-N
Literature Reference Author N.J.CHURCH,D.W.YOUNG
Literature Reference Citation J.CHEM.SOC.PERKIN-1,1475(1998)
Literature Reference DOI 10.1039/a800579f
Molecular Weight 336.200 g/mol
Solvent CDCl3
Source File Reference UWBS719
SpectraBase Batch ID HXviCqtQM0I