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4-BENZYL-PYRROLO-[2,3-D]-[1,2,3]-THIADIAZOLE-6-CARBOXYLIC-ACID-METHYLESTER
SpectraBase Compound ID 7GWVvRM6Fje
InChI InChI=1S/C13H11N3O2S/c1-18-13(17)10-8-16(12-11(10)19-15-14-12)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3
InChIKey KMGJZVRXTDLWEK-UHFFFAOYSA-N
Mol Weight 273.31 g/mol
Molecular Formula C13H11N3O2S
Exact Mass 273.057198 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2HXsJT3eqqw
Name 4-BENZYL-PYRROLO-[2,3-D]-[1,2,3]-THIADIAZOLE-6-CARBOXYLIC-ACID-METHYLESTER
Compound Number 4A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H11N3O2S
InChI InChI=1S/C13H11N3O2S/c1-18-13(17)10-8-16(12-11(10)19-15-14-12)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3
InChIKey KMGJZVRXTDLWEK-UHFFFAOYSA-N
Literature Reference Author P.STANETTY,M.TURNER,M.D.MIHOVILOVIC
Literature Reference Citation MOLECULES,10,367(2005)
Literature Reference DOI 10.3390/10020367
Molecular Weight 273.309 g/mol
Sample ID 56895
Solvent CDCl3