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-[(dibutylamino)methyl]-, 1-methylethyl ester
SpectraBase Compound ID 8rlmpkxZDpO
InChI InChI=1S/C17H29N7O3/c1-5-7-9-23(10-8-6-2)11-13-14(17(25)26-12(3)4)19-22-24(13)16-15(18)20-27-21-16/h12H,5-11H2,1-4H3,(H2,18,20)
InChIKey QDDDISNXOHMTPS-UHFFFAOYSA-N
Mol Weight 379.47 g/mol
Molecular Formula C17H29N7O3
Exact Mass 379.233188 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 FzoAVwsxdB9
Name 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(dibutylamino)methyl]-4-triazolecarboxylic acid propan-2-yl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H29N7O3
InChI InChI=1S/C17H29N7O3/c1-5-7-9-23(10-8-6-2)11-13-14(17(25)26-12(3)4)19-22-24(13)16-15(18)20-27-21-16/h12H,5-11H2,1-4H3,(H2,18,20)
InChIKey QDDDISNXOHMTPS-UHFFFAOYSA-N
Molecular Weight 379.465 g/mol
SMILES Nc1c(-[n]2c(c(C(OC(C)C)=O)nn2)CN(CCCC)CCCC)non1
SPLASH splash10-0006-9611000000-cca9301cc6e5119000a7
Synonyms 1-(4-aminofurazan-3-yl)-5-[(dibutylamino)methyl]triazole-4-carboxylic acid isopropyl ester isopropyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(dibutylamino)methyl]triazole-4-carboxylate Propan-2-yl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(dibutylamino)methyl]triazole-4-carboxylate Propan-2-yl 1-(4-azanyl-1,2,5-oxadiazol-3-yl)-5-[(dibutylamino)methyl]-1,2,3-triazole-4-carboxylate
Wiley ID 1453389