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benzoic acid, 4-[[(2S)-2-(1,3-dihydro-1-oxo-2H-isoindol-2-yl)-4-(methylsulfonyl)-1-oxobutyl]amino]-, ethyl ester
SpectraBase Compound ID YXAktzqM46
InChI InChI=1S/C22H24N2O6S/c1-3-30-22(27)15-8-10-17(11-9-15)23-20(25)19(12-13-31(2,28)29)24-14-16-6-4-5-7-18(16)21(24)26/h4-11,19H,3,12-14H2,1-2H3,(H,23,25)
InChIKey IOHAURXZQVGDCL-UHFFFAOYSA-N
Mol Weight 444.5 g/mol
Molecular Formula C22H24N2O6S
Exact Mass 444.135508 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Ba9obwUOrKC
Name benzoic acid, 4-[[(2S)-2-(1,3-dihydro-1-oxo-2H-isoindol-2-yl)-4-(methylsulfonyl)-1-oxobutyl]amino]-, ethyl 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 444.135507669 u
Formula C22H24N2O6S
InChI InChI=1S/C22H24N2O6S/c1-3-30-22(27)15-8-10-17(11-9-15)23-20(25)19(12-13-31(2,28)29)24-14-16-6-4-5-7-18(16)21(24)26/h4-11,19H,3,12-14H2,1-2H3,(H,23,25)
InChIKey IOHAURXZQVGDCL-UHFFFAOYSA-N
Molecular Weight 444.502 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_1577
Solvent DMSO-d6
Source Vendor ID: NMR/12678719
Temperature 23.85 °C