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1-(4-methoxybenzyl)-4-(6-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)piperazin-1-ium chloride
SpectraBase Compound ID JQV5zMhpBDe
InChI InChI=1S/C23H28N4OS.ClH/c1-16-3-8-20-19(13-16)21-22(24-15-25-23(21)29-20)27-11-9-26(10-12-27)14-17-4-6-18(28-2)7-5-17;/h4-7,15-16H,3,8-14H2,1-2H3;1H
InChIKey HUSZUHNNOMQQFB-UHFFFAOYSA-N
Mol Weight 445.03 g/mol
Molecular Formula C23H29ClN4OS
Exact Mass 444.17506 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2c9TAwwqxou
Name 1-(4-methoxybenzyl)-4-(6-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)piperazin-1-ium 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 444.175060443 u
Formula C23H29ClN4OS
InChI InChI=1S/C23H28N4OS.ClH/c1-16-3-8-20-19(13-16)21-22(24-15-25-23(21)29-20)27-11-9-26(10-12-27)14-17-4-6-18(28-2)7-5-17;/h4-7,15-16H,3,8-14H2,1-2H3;1H
InChIKey HUSZUHNNOMQQFB-UHFFFAOYSA-N
Molecular Weight 445.025 g/mol
NMR Offset 17.9889
NMR Spectrometer Frequency 500.132
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_5037
Solvent CDCl3
Source Vendor ID: NMR/12318213