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1H-isoindole-2-acetamide, N-[2-(3,4-dimethoxyphenyl)ethyl]-2,3-dihydro-alpha-[2-(methylsulfonyl)ethyl]-1-oxo-, (alpha~2~S)-
SpectraBase Compound ID 1wQN3nNPij9
InChI InChI=1S/C23H28N2O6S/c1-30-20-9-8-16(14-21(20)31-2)10-12-24-22(26)19(11-13-32(3,28)29)25-15-17-6-4-5-7-18(17)23(25)27/h4-9,14,19H,10-13,15H2,1-3H3,(H,24,26)
InChIKey CVGUICICWJENOQ-UHFFFAOYSA-N
Mol Weight 460.55 g/mol
Molecular Formula C23H28N2O6S
Exact Mass 460.166808 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2JwH5NAEGKW
Name 1H-isoindole-2-acetamide, N-[2-(3,4-dimethoxyphenyl)ethyl]-2,3-dihydro-alpha-[2-(methylsulfonyl)ethyl]-1-oxo-, (alpha~2~S)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 460.166807798 u
Formula C23H28N2O6S
InChI InChI=1S/C23H28N2O6S/c1-30-20-9-8-16(14-21(20)31-2)10-12-24-22(26)19(11-13-32(3,28)29)25-15-17-6-4-5-7-18(17)23(25)27/h4-9,14,19H,10-13,15H2,1-3H3,(H,24,26)
InChIKey CVGUICICWJENOQ-UHFFFAOYSA-N
Molecular Weight 460.545 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_1617
Solvent DMSO-d6
Source Vendor ID: NMR/12678132