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

*Links on SpectraBase are not permalinks.
Di-i-propyl 5-Amino-1-(p-bromophenyl)pyrazole-3,4-dicarboxylate
SpectraBase Compound ID A5Dj7qOieLl
InChI InChI=1S/C17H20BrN3O4/c1-9(2)24-16(22)13-14(17(23)25-10(3)4)20-21(15(13)19)12-7-5-11(18)6-8-12/h5-10H,19H2,1-4H3
InChIKey WICZQTLSLVMUAL-UHFFFAOYSA-N
Mol Weight 410.27 g/mol
Molecular Formula C17H20BrN3O4
Exact Mass 409.063719 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 EyHnuJTHMJx
Name Di-i-propyl 5-Amino-1-(p-bromophenyl)pyrazole-3,4-dicarboxylate
Alternate Name(s) diisopropyl 5-amino-1-(4-bromophenyl)-1H-pyrazole-3,4-dicarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H20BrN3O4
InChI InChI=1S/C17H20BrN3O4/c1-9(2)24-16(22)13-14(17(23)25-10(3)4)20-21(15(13)19)12-7-5-11(18)6-8-12/h5-10H,19H2,1-4H3
InChIKey WICZQTLSLVMUAL-UHFFFAOYSA-N
Molecular Weight 410.268 g/mol
SMILES Nc1c(c(n[n]1-c1ccc(cc1)Br)C(OC(C)C)=O)C(OC(C)C)=O
SPLASH splash10-0a6r-0009400000-11e2ea7e5646f35d1bbb
Source of Spectrum H1-48-2102-5
Wiley ID 816660