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6-(2,4-Dioxo-2,3,4,6,7,8,9,10-octahydro-pyrimido[4,5-B]quinoline-10-yl)-hexanoic acid

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6-(2,4-Dioxo-2,3,4,6,7,8,9,10-octahydro-pyrimido[4,5-B]quinoline-10-yl)-hexanoic acid
SpectraBase Compound ID GliekJ9DfEK
InChI InChI=1S/C17H21N3O4/c21-14(22)8-2-1-5-9-20-13-7-4-3-6-11(13)10-12-15(20)18-17(24)19-16(12)23/h10H,1-9H2,(H,21,22)(H,19,23,24)
InChIKey ITCYQMWZLFPVMW-UHFFFAOYSA-N
Mol Weight 331.37 g/mol
Molecular Formula C17H21N3O4
Exact Mass 331.153206 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JY49I8th7Aa
Name 6-(2,4-Dioxo-2,3,4,6,7,8,9,10-octahydro-pyrimido[4,5-B]quinoline-10-yl)-hexanoic acid
CAS Registry Number 53983-58-7
Comments C13-SHIFTS OF THE ALICYCL. RING 26.65-20.75 PPM
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C17H21N3O4
InChI InChI=1S/C17H21N3O4/c21-14(22)8-2-1-5-9-20-13-7-4-3-6-11(13)10-12-15(20)18-17(24)19-16(12)23/h10H,1-9H2,(H,21,22)(H,19,23,24)
InChIKey ITCYQMWZLFPVMW-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