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ethyl 2-({[2-(methylsulfonyl)-1,2,3,4-tetrahydro-3-isoquinolinyl]carbonyl}amino)benzoate
SpectraBase Compound ID 8WlzxFKAZqU
InChI InChI=1S/C20H22N2O5S/c1-3-27-20(24)16-10-6-7-11-17(16)21-19(23)18-12-14-8-4-5-9-15(14)13-22(18)28(2,25)26/h4-11,18H,3,12-13H2,1-2H3,(H,21,23)
InChIKey QRLVSYGUHVWGII-UHFFFAOYSA-N
Mol Weight 402.47 g/mol
Molecular Formula C20H22N2O5S
Exact Mass 402.124943 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Dmx4syfaig
Name ethyl 2-({[2-(methylsulfonyl)-1,2,3,4-tetrahydro-3-isoquinolinyl]carbonyl}amino)benzoate
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 402.124942985 u
Formula C20H22N2O5S
InChI InChI=1S/C20H22N2O5S/c1-3-27-20(24)16-10-6-7-11-17(16)21-19(23)18-12-14-8-4-5-9-15(14)13-22(18)28(2,25)26/h4-11,18H,3,12-13H2,1-2H3,(H,21,23)
InChIKey QRLVSYGUHVWGII-UHFFFAOYSA-N
Molecular Weight 402.465 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_4296
Solvent DMSO-d6
Source Vendor ID: NMR/12309145