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

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1H-isoindole-2-acetic acid, 2,3-dihydro-1,3-dioxo-, (3S,4S)-4-(benzoylamino)tetrahydrothienyl ester
SpectraBase Compound ID 36dcGDLdlOl
InChI InChI=1S/C21H18N2O5S/c24-18(10-23-20(26)14-8-4-5-9-15(14)21(23)27)28-17-12-29-11-16(17)22-19(25)13-6-2-1-3-7-13/h1-9,16-17H,10-12H2,(H,22,25)
InChIKey CNEAINCFEWGLJK-UHFFFAOYSA-N
Mol Weight 410.44 g/mol
Molecular Formula C21H18N2O5S
Exact Mass 410.093643 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GGBTFBKacpo
Name 1H-isoindole-2-acetic 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 410.093642857 u
Formula C21H18N2O5S
InChI InChI=1S/C21H18N2O5S/c24-18(10-23-20(26)14-8-4-5-9-15(14)21(23)27)28-17-12-29-11-16(17)22-19(25)13-6-2-1-3-7-13/h1-9,16-17H,10-12H2,(H,22,25)
InChIKey CNEAINCFEWGLJK-UHFFFAOYSA-N
Molecular Weight 410.444 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_18468
Solvent DMSO-d6
Source Vendor ID: NMR/11260916; Lab Info: RV; Lab Number: RV-10500069