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(R)-2-(1-AMINO)-ETHYLTHIAZOLE-4-CARBOXYLIC-ACID-ETHYLESTER-TRIFLUORO-ACETIC-ACID-SALT
SpectraBase Compound ID JjeDYGSETSL
InChI InChI=1S/C8H12N2O2S.C2HF3O2/c1-3-12-8(11)6-4-13-7(10-6)5(2)9;3-2(4,5)1(6)7/h4-5H,3,9H2,1-2H3;(H,6,7)/t5-;/m1./s1
InChIKey VQVCKJOJWXNFFD-NUBCRITNSA-N
Mol Weight 314.28 g/mol
Molecular Formula C10H13F3N2O4S
Exact Mass 314.054813 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Jj9juAW7qZi
Name (R)-2-(1-AMINO)-ETHYLTHIAZOLE-4-CARBOXYLIC-ACID-ETHYLESTER-TRIFLUORO-ACETIC-ACID-SALT
Compound Number 15
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C10H13F3N2O4S
InChI InChI=1S/C8H12N2O2S.C2HF3O2/c1-3-12-8(11)6-4-13-7(10-6)5(2)9;3-2(4,5)1(6)7/h4-5H,3,9H2,1-2H3;(H,6,7)/t5-;/m1./s1
InChIKey VQVCKJOJWXNFFD-NUBCRITNSA-N
Literature Reference Author Z.XIA,C.D.SMITH
Literature Reference Citation J.ORG.CHEM.,66,3459(2001)
Literature Reference DOI 10.1021/jo005783l
Molecular Weight 314.279 g/mol
Solvent CDCl3
Source File Reference UWMS26916