For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
5-(alpha-hydroxy-o-tolyl)-1-methyl-3-(p-nitrophenyl)-1H-1,2,4-triazole, acetate(ester)
SpectraBase Compound ID 2jh6glDus7K
InChI InChI=1S/C18H16N4O4/c1-12(23)26-11-14-5-3-4-6-16(14)18-19-17(20-21(18)2)13-7-9-15(10-8-13)22(24)25/h3-10H,11H2,1-2H3
InChIKey APETWJRJZXBHGZ-UHFFFAOYSA-N
Mol Weight 352.35 g/mol
Molecular Formula C18H16N4O4
Exact Mass 352.117155 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID ISZDiUND6AE
Name 5-(alpha-HYDROXY-o-TOLYL)-1-METHYL-3-(p-NITROPHENYL)-1H-1,2,4-TRIAZOLE, ACETATE (ESTER)
Source of Sample P. Consonni, Gruppo Lepetit S.p.A., Milan, Italy
Comments Tentative assignment
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H16N4O4
InChI InChI=1S/C18H16N4O4/c1-12(23)26-11-14-5-3-4-6-16(14)18-19-17(20-21(18)2)13-7-9-15(10-8-13)22(24)25/h3-10H,11H2,1-2H3
InChIKey APETWJRJZXBHGZ-UHFFFAOYSA-N
Melting Point 126-127C
Molecular Weight 352.35
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms TRIAZOLE, 1H-1,2,4-, 5-/A-HYDROXY- O-TOLYL/-1-METHYL-3-/P-NITROPHENYL/-, ACETATE (ESTER)