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2-{[1-(3,4-xylyl)-1H-tetrazol-5-yl]thio}-2'-acetonaphthone
SpectraBase Compound ID 8jei61rtTcu
InChI InChI=1S/C21H18N4OS/c1-14-7-10-19(11-15(14)2)25-21(22-23-24-25)27-13-20(26)18-9-8-16-5-3-4-6-17(16)12-18/h3-12H,13H2,1-2H3
InChIKey AAHYBBVAGURQSK-UHFFFAOYSA-N
Mol Weight 374.46 g/mol
Molecular Formula C21H18N4OS
Exact Mass 374.120132 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5mFUz4MJi3c
Name 2-{[1-(3,4-XYLYL)-1H-TETRAZOL-5-YL]THIO}-2'-ACETONAPHTHONE
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Comments Some carbon atoms are unassigned
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H18N4OS
InChI InChI=1S/C21H18N4OS/c1-14-7-10-19(11-15(14)2)25-21(22-23-24-25)27-13-20(26)18-9-8-16-5-3-4-6-17(16)12-18/h3-12H,13H2,1-2H3
InChIKey AAHYBBVAGURQSK-UHFFFAOYSA-N
Melting Point 122C
Molecular Weight 374.47
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms 2'-ACETONAPHTHONE, 2-//1-/3,4-XYLYL/- 1H-TETRAZOL-5-YL/THIO/-,