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

*Links on SpectraBase are not permalinks.
[3-(3,4-METHYLENEDIOXYPHENYL)-ISOXAZOL-5-YL]-ACETONITRILE
SpectraBase Compound ID 4jmqCYQ14kr
InChI InChI=1S/C12H8N2O3/c13-4-3-9-6-10(14-17-9)8-1-2-11-12(5-8)16-7-15-11/h1-2,5-6H,3,7H2
InChIKey DWJWWQRYKLOGFR-UHFFFAOYSA-N
Mol Weight 228.21 g/mol
Molecular Formula C12H8N2O3
Exact Mass 228.053492 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID HDXQUelUzch
Name [3-(3,4-METHYLENEDIOXYPHENYL)-ISOXAZOL-5-YL]-ACETONITRILE
Compound Number 46
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H8N2O3
InChI InChI=1S/C12H8N2O3/c13-4-3-9-6-10(14-17-9)8-1-2-11-12(5-8)16-7-15-11/h1-2,5-6H,3,7H2
InChIKey DWJWWQRYKLOGFR-UHFFFAOYSA-N
Literature Reference Author V.S.PARMAR,N.K.SHARMA,M.HUSAIN,A.C.WATTERSON,J.KUMAR,L.A.SAM UELSON,A.L.CHOLLI,A.
Literature Reference Citation BIOORG.MED.CHEM.,11,913(2003)
Literature Reference DOI 10.1016/S0968-0896(02)00539-4
Molecular Weight 228.207 g/mol
Sample ID 38575
Solvent CDCl3