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

*Links on SpectraBase are not permalinks.
3,6-Bis(3-(3-bromophenylamino)-4-ethoxycarbonyl-5-oxo-2,5-dihydroisoxazolin-2-yl)pyridazine
SpectraBase Compound ID 8UsxNfXKOU5
InChI InChI=1S/C28H22Br2N6O8/c1-3-41-25(37)21-23(31-17-9-5-7-15(29)13-17)35(43-27(21)39)19-11-12-20(34-33-19)36-24(32-18-10-6-8-16(30)14-18)22(28(40)44-36)26(38)42-4-2/h5-14,31-32H,3-4H2,1-2H3
InChIKey UYZWFXDHGKNTJN-UHFFFAOYSA-N
Mol Weight 730.33 g/mol
Molecular Formula C28H22Br2N6O8
Exact Mass 727.986588 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 CbIEYBGrQvF
Name 3,6-Bis(3-(3-bromophenylamino)-4-ethoxycarbonyl-5-oxo-2,5-dihydroisoxazolin-2-yl)pyridazine
Appearance White crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H22Br2N6O8
InChI InChI=1S/C28H22Br2N6O8/c1-3-41-25(37)21-23(31-17-9-5-7-15(29)13-17)35(43-27(21)39)19-11-12-20(34-33-19)36-24(32-18-10-6-8-16(30)14-18)22(28(40)44-36)26(38)42-4-2/h5-14,31-32H,3-4H2,1-2H3
InChIKey UYZWFXDHGKNTJN-UHFFFAOYSA-N
Instrument Name Varian Matt 311
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0010.c03
Molecular Weight 730.326 g/mol
SMILES N(C1=C(C(ON1c1ccc(N2C(=C(C(O2)=O)C(OCC)=O)Nc2cccc(c2)Br)nn1)=O)C(OCC)=O)c1cccc(c1)Br
SPLASH splash10-0002-9210000000-293bce09756e9eba7130
Source of Spectrum ARK-2009-27-17
Wiley ID 1869755