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

*Links on SpectraBase are not permalinks.
1,2,4-Oxadiazol-5-amine, 3-(4-amino-1,2,5-oxadiazol-3-yl)-N-(1,3-benzodioxol-5-ylmethyl)-
SpectraBase Compound ID DDQ4mNXPrDJ
InChI InChI=1S/C12H10N6O4/c13-10-9(16-22-17-10)11-15-12(21-18-11)14-4-6-1-2-7-8(3-6)20-5-19-7/h1-3H,4-5H2,(H2,13,17)(H,14,15,18)
InChIKey IPHCPSZOQCURIW-UHFFFAOYSA-N
Mol Weight 302.25 g/mol
Molecular Formula C12H10N6O4
Exact Mass 302.076353 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 9E8ICtXqQEx
Name 1,2,4-Oxadiazol-5-amine, 3-(4-amino-1,2,5-oxadiazol-3-yl)-N-(1,3-benzodioxol-5-ylmethyl)-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H10N6O4
InChI InChI=1S/C12H10N6O4/c13-10-9(16-22-17-10)11-15-12(21-18-11)14-4-6-1-2-7-8(3-6)20-5-19-7/h1-3H,4-5H2,(H2,13,17)(H,14,15,18)
InChIKey IPHCPSZOQCURIW-UHFFFAOYSA-N
Molecular Weight 302.250 g/mol
SMILES Nc1nonc1-c1nc(on1)NCc1cc2c(cc1)OCO2
SPLASH splash10-002r-5900000000-3ce2002f341e0eee9838
Source of Spectrum IY-2-4798-8
Synonyms 4-[5-(1,3-benzodioxol-5-ylmethylamino)-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine
Wiley ID 1655971