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3-PHENYL-5-METHYLMERCAPTOTETRAZOLIUM_TRIFLUOROACETATE

View entire compound with spectra: 2 NMR

3-PHENYL-5-METHYLMERCAPTOTETRAZOLIUM_TRIFLUOROACETATE
SpectraBase Compound ID 74DbMExbiu0
InChI InChI=1S/C8H8N4S.C2HF3O2/c1-13-8-9-11-12(10-8)7-5-3-2-4-6-7;3-2(4,5)1(6)7/h2-6H,1H3;(H,6,7)
InChIKey AZIRSXYNFASDMT-UHFFFAOYSA-N
Mol Weight 306.26 g/mol
Molecular Formula C10H9F3N4O2S
Exact Mass 306.039831 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2edvJppvyf5
Name 3-PHENYL-5-METHYLMERCAPTOTETRAZOLIUM_TRIFLUOROACETATE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C10H9F3N4O2S
InChI InChI=1S/C8H8N4S.C2HF3O2/c1-13-8-9-11-12(10-8)7-5-3-2-4-6-7;3-2(4,5)1(6)7/h2-6H,1H3;(H,6,7)
InChIKey AZIRSXYNFASDMT-UHFFFAOYSA-N
Literature Reference Author L.STEFANIAK,J.JAZWINSKI
Literature Reference Citation CHEM.HET.COMP.,31,1027(1995)
Literature Reference DOI 10.1007/bf01165049
Molecular Weight 306.262 g/mol
Solvent TFA-D1
Source File Reference UWMZ14942