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6-(2,4-Dioxo-6-pentyl-2,3,4,8-tetrahydro-pyrido[2,3]pyrimidin-8-yl)-hexanoic acid

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6-(2,4-Dioxo-6-pentyl-2,3,4,8-tetrahydro-pyrido[2,3]pyrimidin-8-yl)-hexanoic acid
SpectraBase Compound ID 9K8MUjasWD0
InChI InChI=1S/C18H25N3O4/c1-2-3-5-8-13-11-14-16(19-18(25)20-17(14)24)21(12-13)10-7-4-6-9-15(22)23/h11-12H,2-10H2,1H3,(H,22,23)(H,20,24,25)
InChIKey MHJFACPVFFUGMP-UHFFFAOYSA-N
Mol Weight 347.42 g/mol
Molecular Formula C18H25N3O4
Exact Mass 347.184506 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Bi3r5KXwYuB
Name 6-(2,4-Dioxo-6-pentyl-2,3,4,8-tetrahydro-pyrido[2,3]pyrimidin-8-yl)-hexanoic acid
CAS Registry Number 53983-57-6
Comments C13-SHIFTS OF THE PENTYL CHAIN 30.65-13.90 PPM
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C18H25N3O4
InChI InChI=1S/C18H25N3O4/c1-2-3-5-8-13-11-14-16(19-18(25)20-17(14)24)21(12-13)10-7-4-6-9-15(22)23/h11-12H,2-10H2,1H3,(H,22,23)(H,20,24,25)
InChIKey MHJFACPVFFUGMP-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