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TRANS-6-(5-NITROTETRAZOL-2-YL)-5-(2-THIENYL)-3-[2-(2-THIENYL)-VINYL]-CYCLOHEX-2-ENONE
SpectraBase Compound ID F7O9xQO3o8Z
InChI InChI=1S/C17H13N5O3S2/c23-14-10-11(5-6-12-3-1-7-26-12)9-13(15-4-2-8-27-15)16(14)21-19-17(18-20-21)22(24)25/h1-8,10,13,16H,9H2/b6-5+/t13-,16-/m0/s1
InChIKey XXWORPTXWIPYSW-FVXJHOQFSA-N
Mol Weight 399.44 g/mol
Molecular Formula C17H13N5O3S2
Exact Mass 399.045982 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5SIxDbDkIEX
Name TRANS-6-(5-NITROTETRAZOL-2-YL)-5-(2-THIENYL)-3-[2-(2-THIENYL)-VINYL]-CYCLOHEX-2-ENONE
Compound Number III-B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H13N5O3S2
InChI InChI=1S/C17H13N5O3S2/c23-14-10-11(5-6-12-3-1-7-26-12)9-13(15-4-2-8-27-15)16(14)21-19-17(18-20-21)22(24)25/h1-8,10,13,16H,9H2/b6-5+/t13-,16-/m0/s1
InChIKey XXWORPTXWIPYSW-FVXJHOQFSA-N
Literature Reference Author A.V.SAMET,V.V.KACHALA,V.V.SEMENOV
Literature Reference Citation CHEM.HET.COMP.,33,1471(1997)
Literature Reference DOI 10.1007/bf02291653
Molecular Weight 399.442 g/mol
Solvent ACETONE-D6
Source File Reference UWMZ15090