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

*Links on SpectraBase are not permalinks.

3-(3,4,5-Trimethoxyphenylmethyl)-6-(4-chlorophenyl)-7H-1,2,4-triazolo[3,4-b]-1,3,4-thiadiazine

View entire compound with spectra: 1 MS (GC)

3-(3,4,5-Trimethoxyphenylmethyl)-6-(4-chlorophenyl)-7H-1,2,4-triazolo[3,4-b]-1,3,4-thiadiazine
SpectraBase Compound ID 5VeIBj3dC8d
InChI InChI=1S/C20H19ClN4O3S/c1-26-16-8-12(9-17(27-2)19(16)28-3)10-18-22-23-20-25(18)24-15(11-29-20)13-4-6-14(21)7-5-13/h4-9H,10-11H2,1-3H3
InChIKey LOLFPYBJQOFJDB-UHFFFAOYSA-N
Mol Weight 430.91 g/mol
Molecular Formula C20H19ClN4O3S
Exact Mass 430.086639 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID ILzQuowbo7O
Name 3-(3,4,5-Trimethoxyphenylmethyl)-6-(4-chlorophenyl)-7H-1,2,4-triazolo[3,4-b]-1,3,4-thiadiazine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H19ClN4O3S
InChI InChI=1S/C20H19ClN4O3S/c1-26-16-8-12(9-17(27-2)19(16)28-3)10-18-22-23-20-25(18)24-15(11-29-20)13-4-6-14(21)7-5-13/h4-9H,10-11H2,1-3H3
InChIKey LOLFPYBJQOFJDB-UHFFFAOYSA-N
Molecular Weight 430.910 g/mol
SMILES C1(=N[n]2c(SC1)nnc2Cc1cc(OC)c(c(c1)OC)OC)c1ccc(cc1)Cl
SPLASH splash10-001i-0330900000-9ac687a9266a4160bb9b
Source of Spectrum F2-44-4536-3b
Synonyms 6-(4-Chlorophenyl)-3-[(3,4,5-trimethoxyphenyl)methyl]-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Wiley ID 1705810