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6-(6-Butyl-2,4-dioxo-2,3,4,8-tetrahydro-pyrido[2,3-D]pyrimidin-8-yl)-hexanoic acid
SpectraBase Compound ID DbHPsM8aL5H
InChI InChI=1S/C17H23N3O4/c1-2-3-7-12-10-13-15(18-17(24)19-16(13)23)20(11-12)9-6-4-5-8-14(21)22/h10-11H,2-9H2,1H3,(H,21,22)(H,19,23,24)
InChIKey DIRJLRVWSZGVMN-UHFFFAOYSA-N
Mol Weight 333.39 g/mol
Molecular Formula C17H23N3O4
Exact Mass 333.168856 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7vnDKxdbkYp
Name 6-(6-Butyl-2,4-dioxo-2,3,4,8-tetrahydro-pyrido[2,3-D]pyrimidin-8-yl)-hexanoic acid
CAS Registry Number 74947-93-6
Comments C13-SHIFTS OF THE BUTYL CHAIN 36.15-13.8 PPM
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C17H23N3O4
InChI InChI=1S/C17H23N3O4/c1-2-3-7-12-10-13-15(18-17(24)19-16(13)23)20(11-12)9-6-4-5-8-14(21)22/h10-11H,2-9H2,1H3,(H,21,22)(H,19,23,24)
InChIKey DIRJLRVWSZGVMN-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