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

*Links on SpectraBase are not permalinks.
1-(4-Amino-furazan-3-yl)-5-thiocyanatomethyl-1H-[1,2,3]triazole-4-carboxylic acid ethyl ester
SpectraBase Compound ID CEh4YK2tyUq
InChI InChI=1S/C9H9N7O3S/c1-2-18-9(17)6-5(3-20-4-10)16(15-12-6)8-7(11)13-19-14-8/h2-3H2,1H3,(H2,11,13)
InChIKey PTYBIUSKHLXFSX-UHFFFAOYSA-N
Mol Weight 295.28 g/mol
Molecular Formula C9H9N7O3S
Exact Mass 295.048758 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 J8saiv6XG3Q
Name 1-(4-Amino-furazan-3-yl)-5-thiocyanatomethyl-1H-[1,2,3]triazole-4-carboxylic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H9N7O3S
InChI InChI=1S/C9H9N7O3S/c1-2-18-9(17)6-5(3-20-4-10)16(15-12-6)8-7(11)13-19-14-8/h2-3H2,1H3,(H2,11,13)
InChIKey PTYBIUSKHLXFSX-UHFFFAOYSA-N
Molecular Weight 295.277 g/mol
SMILES Nc1c(-[n]2c(c(C(=O)OCC)nn2)CSC#N)non1
SPLASH splash10-0ue9-6900000000-d2036ffd7d1f54b51992
Synonyms 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(thiocyanatomethyl)-4-triazolecarboxylic acid ethyl ester 1-(4-aminofurazan-3-yl)-5-(thiocyanatomethyl)triazole-4-carboxylic acid ethyl ester Ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(thiocyanatomethyl)triazole-4-carboxylate Ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(cyanosulfanyl)methyl]-1H-1,2,3-triazole-4-carboxylate Ethyl 1-(4-azanyl-1,2,5-oxadiazol-3-yl)-5-(thiocyanatomethyl)-1,2,3-triazole-4-carboxylate
Wiley ID 1465977