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3-(3,4-diethoxyphenyl)-2-(4-methylphenyl)sulfonyl-3,5,6,10b-tetrahydro-1H-imidazo[5,1-a]isoquinoline
SpectraBase Compound ID 6Pklm2OnYXJ
InChI InChI=1S/C28H32N2O4S/c1-4-33-26-15-12-22(18-27(26)34-5-2)28-29-17-16-21-8-6-7-9-24(21)25(29)19-30(28)35(31,32)23-13-10-20(3)11-14-23/h6-15,18,25,28H,4-5,16-17,19H2,1-3H3
InChIKey NZOTUHXVRCITKY-UHFFFAOYSA-N
Mol Weight 492.6 g/mol
Molecular Formula C28H32N2O4S
Exact Mass 492.208279 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BngD08dOafI
Name imidazo[5,1-a]isoquinoline, 3-(3,4-diethoxyphenyl)-1,2,3,5,6,10b-hexahydro-2-[(4-methylphenyl)sulfonyl]-
Copyright Copyright © 2022-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 492.208278688 u
Formula C28H32N2O4S
InChI InChI=1S/C28H32N2O4S/c1-4-33-26-15-12-22(18-27(26)34-5-2)28-29-17-16-21-8-6-7-9-24(21)25(29)19-30(28)35(31,32)23-13-10-20(3)11-14-23/h6-15,18,25,28H,4-5,16-17,19H2,1-3H3
InChIKey NZOTUHXVRCITKY-UHFFFAOYSA-N
Molecular Weight 492.634 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_15836
Solvent DMSO-d6
Source Vendor ID: NMR/11230212; Lab Info: POH; Lab Number: POH-0103003