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N-benzyl-4-[3-bromo-4-(cyclopentyloxy)-5-methoxyphenyl]-6-methyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxamide
SpectraBase Compound ID CKOKVUETVxo
InChI InChI=1S/C25H28BrN3O3S/c1-15-21(24(30)27-14-16-8-4-3-5-9-16)22(29-25(33)28-15)17-12-19(26)23(20(13-17)31-2)32-18-10-6-7-11-18/h3-5,8-9,12-13,18,22H,6-7,10-11,14H2,1-2H3,(H,27,30)(H2,28,29,33)
InChIKey YBMUJWXSBQDJHV-UHFFFAOYSA-N
Mol Weight 530.48 g/mol
Molecular Formula C25H28BrN3O3S
Exact Mass 529.103476 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID E2ExU016jjw
Name N-benzyl-4-[3-bromo-4-(cyclopentyloxy)-5-methoxyphenyl]-6-methyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxamide
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C25H28BrN3O3S/c1-15-21(24(30)27-14-16-8-4-3-5-9-16)22(29-25(33)28-15)17-12-19(26)23(20(13-17)31-2)32-18-10-6-7-11-18/h3-5,8-9,12-13,18,22H,6-7,10-11,14H2,1-2H3,(H,27,30)(H2,28,29,33)
InChIKey YBMUJWXSBQDJHV-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_32063
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: 1844528; SBI_ID: SBI-032067
Temperature 315 °C