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6-(2,4-Dioxo-2,3,4,6,7,8,9,10,11-octaydro-2H-cyclohepta[5,6]pyrido[2,3-D]pyrimidin-11-yl)-hexanoic acid

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6-(2,4-Dioxo-2,3,4,6,7,8,9,10,11-octaydro-2H-cyclohepta[5,6]pyrido[2,3-D]pyrimidin-11-yl)-hexanoic acid
SpectraBase Compound ID I1XoiAOLacF
InChI InChI=1S/C18H23N3O4/c22-15(23)9-5-2-6-10-21-14-8-4-1-3-7-12(14)11-13-16(21)19-18(25)20-17(13)24/h11H,1-10H2,(H,22,23)(H,20,24,25)
InChIKey FBGLCHCYYRNBLI-UHFFFAOYSA-N
Mol Weight 345.4 g/mol
Molecular Formula C18H23N3O4
Exact Mass 345.168856 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EHzql7fH7Hv
Name 6-(2,4-Dioxo-2,3,4,6,7,8,9,10,11-octaydro-2H-cyclohepta[5,6]pyrido[2,3-D]pyrimidin-11-yl)-hexanoic acid
CAS Registry Number 53983-59-8
Comments C13-SHIFTS OF THE ALICYCL. RING 32.70-24.80 PPM
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C18H23N3O4
InChI InChI=1S/C18H23N3O4/c22-15(23)9-5-2-6-10-21-14-8-4-1-3-7-12(14)11-13-16(21)19-18(25)20-17(13)24/h11H,1-10H2,(H,22,23)(H,20,24,25)
InChIKey FBGLCHCYYRNBLI-UHFFFAOYSA-N
Instrument Name Bruker HX-90
Literature Reference E. Stark, E. Breitmaier, Chem. Ber. 107, 2537 (1974).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6