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

*Links on SpectraBase are not permalinks.
Methyl 3-(3-hydroxy-2-(3-octanoyl-2-pyrazolin-4-yl)-5-oxo-1-cyclopentenyl)-propionate
SpectraBase Compound ID 8WywQeL2Fum
InChI InChI=1S/C20H30N2O5/c1-3-4-5-6-7-8-15(23)20-14(12-21-22-20)19-13(9-10-18(26)27-2)16(24)11-17(19)25/h14,17,21,25H,3-12H2,1-2H3
InChIKey FWERLDMNIBVVJZ-UHFFFAOYSA-N
Mol Weight 378.47 g/mol
Molecular Formula C20H30N2O5
Exact Mass 378.215472 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 DaNVYH466EG
Name Methyl 3-(3-hydroxy-2-(3-octanoyl-2-pyrazolin-4-yl)-5-oxo-1-cyclopentenyl)-propionate
CAS Registry Number 64275-98-5
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C20H30N2O5
InChI InChI=1S/C20H30N2O5/c1-3-4-5-6-7-8-15(23)20-14(12-21-22-20)19-13(9-10-18(26)27-2)16(24)11-17(19)25/h14,17,21,25H,3-12H2,1-2H3
InChIKey FWERLDMNIBVVJZ-UHFFFAOYSA-N
Instrument Name Bruker WH-90
Literature Reference D.M. Rackham, S.E. Cowdrey, Org. Magn. Resonance 9, 160 (1977).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3