John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=17sbZBwKBFh SpectraBase Spectrum ID=LdnEpZAMKgR

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TAUROACIDIN-D
SpectraBase Compound ID 17sbZBwKBFh
InChI InChI=1S/C13H16Br2N6O5S/c14-7-4-9(19-10(7)15)12(23)18-5-6(22)3-8-11(21-13(16)20-8)17-1-2-27(24,25)26/h4,8,19H,1-3,5H2,(H,18,23)(H,24,25,26)(H3,16,17,20,21)
InChIKey RQKAQUMRPRYWJT-UHFFFAOYSA-N
Mol Weight 528.18 g/mol
Molecular Formula C13H16Br2N6O5S
Exact Mass 525.926962 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LdnEpZAMKgR
Name TAUROACIDIN-D
Compound Number 4
Copyright Copyright © 2016-2020 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H16Br2N6O5S
InChI InChI=1S/C13H16Br2N6O5S/c14-7-4-9(19-10(7)15)12(23)18-5-6(22)3-8-11(21-13(16)20-8)17-1-2-27(24,25)26/h4,8,19H,1-3,5H2,(H,18,23)(H,24,25,26)(H3,16,17,20,21)
InChIKey RQKAQUMRPRYWJT-UHFFFAOYSA-N
Literature Reference Author T.KUSAMA,N.TANAKA,A.TAKAHASHI-NAKAGUCHI,T.GONOI,J.FROMONT,J. KOBAYASHI
Literature Reference Citation CHEM.PHARM.BULL.,62,499(2014)
Literature Reference DOI 10.1248/cpb.c14-00077
Molecular Weight 528.175 g/mol
Solvent DMSO-D6
Source File Reference UWBT13903
SpectraBase Batch ID 4Qwv0ymv3cI