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1-benzyl-4-(2-{[2-(cyclopentylamino)-2-oxoethyl]sulfanyl}-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl)piperidinium chloride

View entire compound with spectra: 1 NMR

1-benzyl-4-(2-{[2-(cyclopentylamino)-2-oxoethyl]sulfanyl}-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl)piperidinium chloride
SpectraBase Compound ID KBdiJi2qZVH
InChI InChI=1S/C29H32N4O2S2.ClH/c34-25(30-21-10-4-5-11-21)19-36-29-31-26-23-12-6-7-13-24(23)37-27(26)28(35)33(29)22-14-16-32(17-15-22)18-20-8-2-1-3-9-20;/h1-3,6-9,12-13,21-22H,4-5,10-11,14-19H2,(H,30,34);1H
InChIKey XWSQZGVKMCAGFL-UHFFFAOYSA-N
Mol Weight 569.2 g/mol
Molecular Formula C29H33ClN4O2S2
Exact Mass 568.173346 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9mGwRg7s6RK
Name 1-benzyl-4-(2-{[2-(cyclopentylamino)-2-oxoethyl]sulfanyl}-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl)piperidinium chloride
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 568.173346365 u
Formula C29H33ClN4O2S2
InChI InChI=1S/C29H32N4O2S2.ClH/c34-25(30-21-10-4-5-11-21)19-36-29-31-26-23-12-6-7-13-24(23)37-27(26)28(35)33(29)22-14-16-32(17-15-22)18-20-8-2-1-3-9-20;/h1-3,6-9,12-13,21-22H,4-5,10-11,14-19H2,(H,30,34);1H
InChIKey XWSQZGVKMCAGFL-UHFFFAOYSA-N
Molecular Weight 569.182 g/mol
NMR Offset 17.9987
NMR Spectrometer Frequency 500.136
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_9824
Solvent DMSO-d6
Source Vendor ID: NMR/13229888