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

*Links on SpectraBase are not permalinks.
1-[3-(1,3-BENZODIOXOL-5-YL)-4-NITROBUTANOYL]-3,5-DIMETHYLPYRAZOLE
SpectraBase Compound ID GTRFMHrr3Qg
InChI InChI=1S/C16H17N3O5/c1-10-5-11(2)19(17-10)16(20)7-13(8-18(21)22)12-3-4-14-15(6-12)24-9-23-14/h3-6,13H,7-9H2,1-2H3
InChIKey GUSSPNQCIICMTL-UHFFFAOYSA-N
Mol Weight 331.33 g/mol
Molecular Formula C16H17N3O5
Exact Mass 331.116821 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 6SwbZWHYgDt
Name 1-[3-(1,3-BENZODIOXOL-5-YL)-4-NITROBUTANOYL]-3,5-DIMETHYLPYRAZOLE
Compound Number 2L
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H17N3O5
InChI InChI=1S/C16H17N3O5/c1-10-5-11(2)19(17-10)16(20)7-13(8-18(21)22)12-3-4-14-15(6-12)24-9-23-14/h3-6,13H,7-9H2,1-2H3
InChIKey GUSSPNQCIICMTL-UHFFFAOYSA-N
Literature Reference Author K.ITOH,S.KANEMASA
Literature Reference Citation J.AM.CHEM.SOC.,124,13394(2002)
Literature Reference DOI 10.1021/ja027313+
Molecular Weight 331.328 g/mol
Sample ID 48360
Solvent CDCl3