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3-[2-(1-cyclohexen-1-yl)ethyl]-7-{[4-(2-pyridinyl)-1-piperazinyl]carbonyl}-2,4(1H,3H)-quinazolinedione
SpectraBase Compound ID CovDPoeJw7Q
InChI InChI=1S/C26H29N5O3/c32-24(30-16-14-29(15-17-30)23-8-4-5-12-27-23)20-9-10-21-22(18-20)28-26(34)31(25(21)33)13-11-19-6-2-1-3-7-19/h4-6,8-10,12,18H,1-3,7,11,13-17H2,(H,28,34)
InChIKey KVDOGPNKWBYWSP-UHFFFAOYSA-N
Mol Weight 459.55 g/mol
Molecular Formula C26H29N5O3
Exact Mass 459.22704 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LqfX8okdLOG
Name 3-[2-(1-cyclohexen-1-yl)ethyl]-7-{[4-(2-pyridinyl)-1-piperazinyl]carbonyl}-2,4(1H,3H)-quinazolinedione
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 459.227039811 u
Formula C26H29N5O3
InChI InChI=1S/C26H29N5O3/c32-24(30-16-14-29(15-17-30)23-8-4-5-12-27-23)20-9-10-21-22(18-20)28-26(34)31(25(21)33)13-11-19-6-2-1-3-7-19/h4-6,8-10,12,18H,1-3,7,11,13-17H2,(H,28,34)
InChIKey KVDOGPNKWBYWSP-UHFFFAOYSA-N
Molecular Weight 459.550 g/mol
NMR Offset 17.9979
NMR Spectrometer Frequency 500.136
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_9797
Solvent DMSO-d6
Source Vendor ID: NMR/13229843