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

*Links on SpectraBase are not permalinks.
1H-1,2,3-triazole-4-carboxylic acid, 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1,3-benzodioxol-5-yl)-, ethyl ester
SpectraBase Compound ID 4oJlFTCAbSr
InChI InChI=1S/C14H12N6O5/c1-2-22-14(21)10-11(7-3-4-8-9(5-7)24-6-23-8)20(19-16-10)13-12(15)17-25-18-13/h3-5H,2,6H2,1H3,(H2,15,17)
InChIKey OQGZXPUIUMLNMK-UHFFFAOYSA-N
Mol Weight 344.29 g/mol
Molecular Formula C14H12N6O5
Exact Mass 344.086918 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 tI3XGswxrT
Name 1H-1,2,3-Triazole-4-carboxylic acid, 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1,3-benzodioxol-5-yl)-, ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H12N6O5
InChI InChI=1S/C14H12N6O5/c1-2-22-14(21)10-11(7-3-4-8-9(5-7)24-6-23-8)20(19-16-10)13-12(15)17-25-18-13/h3-5H,2,6H2,1H3,(H2,15,17)
InChIKey OQGZXPUIUMLNMK-UHFFFAOYSA-N
Molecular Weight 344.287 g/mol
SMILES Nc1c(-[n]2c(c(C(=O)OCC)nn2)-c2cc3OCOc3cc2)non1
SPLASH splash10-01p9-2910000000-65dd564f68185e47c478
Synonyms 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1,3-benzodioxol-5-yl)-4-triazolecarboxylic acid ethyl ester 1-(4-aminofurazan-3-yl)-5-(1,3-benzodioxol-5-yl)triazole-4-carboxylic acid ethyl ester Ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1,3-benzodioxol-5-yl)-1H-1,2,3-triazole-4-carboxylate Ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1,3-benzodioxol-5-yl)triazole-4-carboxylate Ethyl 1-(4-azanyl-1,2,5-oxadiazol-3-yl)-5-(1,3-benzodioxol-5-yl)-1,2,3-triazole-4-carboxylate
Wiley ID 1455519