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morpholino-(2-tosyl-3,4-dihydro-1H-isoquinolin-3-yl)methanone

View entire compound with spectra: 1 NMR, and 1 MS (GC)

morpholino-(2-tosyl-3,4-dihydro-1H-isoquinolin-3-yl)methanone
SpectraBase Compound ID 4C6rvLHRT6Q
InChI InChI=1S/C21H24N2O4S/c1-16-6-8-19(9-7-16)28(25,26)23-15-18-5-3-2-4-17(18)14-20(23)21(24)22-10-12-27-13-11-22/h2-9,20H,10-15H2,1H3
InChIKey TXTRYFNHTHJRTD-UHFFFAOYSA-N
Mol Weight 400.49 g/mol
Molecular Formula C21H24N2O4S
Exact Mass 400.145678 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID D4dH2wKUmlX
Name isoquinoline, 1,2,3,4-tetrahydro-2-[(4-methylphenyl)sulfonyl]-3-(4-morpholinylcarbonyl)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 400.145678431 u
Formula C21H24N2O4S
InChI InChI=1S/C21H24N2O4S/c1-16-6-8-19(9-7-16)28(25,26)23-15-18-5-3-2-4-17(18)14-20(23)21(24)22-10-12-27-13-11-22/h2-9,20H,10-15H2,1H3
InChIKey TXTRYFNHTHJRTD-UHFFFAOYSA-N
Molecular Weight 400.493 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_16687
Solvent DMSO-d6
Source Vendor ID: NMR/11211427; Lab Info: KND; Lab Number: KND-0101069