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2,3-DIPHENYL-5-(CYANO-ETHOXYCARBONYLMETHYL)-MERCAPTO-TETRAZOLE;ERF.-30
SpectraBase Compound ID 4d1zcalTPg2
InChI InChI=1S/C18H16N5O2S/c1-2-25-17(24)16(13-19)26-18-20-22(14-9-5-3-6-10-14)23(21-18)15-11-7-4-8-12-15/h3-12,16H,2H2,1H3/q+1
InChIKey XBTQDIORYRYNBK-UHFFFAOYSA-N
Mol Weight 366.42 g/mol
Molecular Formula C18H16N5O2S
Exact Mass 366.102471 g/mol

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3PoPVhr1TF
Name 2,3-DIPHENYL-5-(CYANO-ETHOXYCARBONYLMETHYL)-MERCAPTO-TETRAZOLE;ERF.-30
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H16N5O2S
InChI InChI=1S/C18H16N5O2S/c1-2-25-17(24)16(13-19)26-18-20-22(14-9-5-3-6-10-14)23(21-18)15-11-7-4-8-12-15/h3-12,16H,2H2,1H3/q+1
InChIKey XBTQDIORYRYNBK-UHFFFAOYSA-N
Literature Reference Author L.STEFANIAK,J.JAZWINSKI
Literature Reference Citation CHEM.HET.COMP.,31,1027(1995)
Literature Reference DOI 10.1007/bf01165049
Solvent TFA
Source File Reference UWMZ14973