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1H-isoindole-2-butanoic acid, 2,3-dihydro-1,3-dioxo-, (3S,4S)-4-(benzoylamino)tetrahydrothienyl ester

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1H-isoindole-2-butanoic acid, 2,3-dihydro-1,3-dioxo-, (3S,4S)-4-(benzoylamino)tetrahydrothienyl ester
SpectraBase Compound ID Gyjj4hjvSMc
InChI InChI=1S/C23H22N2O5S/c26-20(11-6-12-25-22(28)16-9-4-5-10-17(16)23(25)29)30-19-14-31-13-18(19)24-21(27)15-7-2-1-3-8-15/h1-5,7-10,18-19H,6,11-14H2,(H,24,27)
InChIKey RAJPRPMKDJYCLH-UHFFFAOYSA-N
Mol Weight 438.5 g/mol
Molecular Formula C23H22N2O5S
Exact Mass 438.124943 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KS2IzFoKlVf
Name 1H-isoindole-2-butanoic acid, 2,3-dihydro-1,3-dioxo-, 4-(benzoylamino)tetrahydro-3-thienyl ester
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 438.124942985 u
Formula C23H22N2O5S
InChI InChI=1S/C23H22N2O5S/c26-20(11-6-12-25-22(28)16-9-4-5-10-17(16)23(25)29)30-19-14-31-13-18(19)24-21(27)15-7-2-1-3-8-15/h1-5,7-10,18-19H,6,11-14H2,(H,24,27)
InChIKey RAJPRPMKDJYCLH-UHFFFAOYSA-N
Molecular Weight 438.498 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_17737
Solvent DMSO-d6
Source Vendor ID: NMR/11210279; Lab Info: RV; Lab Number: RV-0000001