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5-(benzylthio)-1-(2,6-xylyl)-1H-tetrazole

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 MS (GC)

5-(benzylthio)-1-(2,6-xylyl)-1H-tetrazole
SpectraBase Compound ID EKrqDQkVORa
InChI InChI=1S/C16H16N4S/c1-12-7-6-8-13(2)15(12)20-16(17-18-19-20)21-11-14-9-4-3-5-10-14/h3-10H,11H2,1-2H3
InChIKey ULJUZTYUCWOJEN-UHFFFAOYSA-N
Mol Weight 296.39 g/mol
Molecular Formula C16H16N4S
Exact Mass 296.109568 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6Y0e2xWIKKW
Name 5-(BENZYLTHIO)-1-(2,6-XYLYL)-1H-TETRAZOLE
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Comments Tentative assignment
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16N4S
InChI InChI=1S/C16H16N4S/c1-12-7-6-8-13(2)15(12)20-16(17-18-19-20)21-11-14-9-4-3-5-10-14/h3-10H,11H2,1-2H3
InChIKey ULJUZTYUCWOJEN-UHFFFAOYSA-N
Melting Point 102-103C
Molecular Weight 296.40
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms 1H-TETRAZOLE, 5-/BENZYLTHIO/- 1-/2,6-XYLYL/-,