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4-(1,3-dioxohexahydro-1H-4,7-methanoisoindol-2(3H)-yl)phenyl 4-methylbenzenesulfonate

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4-(1,3-dioxohexahydro-1H-4,7-methanoisoindol-2(3H)-yl)phenyl 4-methylbenzenesulfonate
SpectraBase Compound ID 8SU9ALtjTvJ
InChI InChI=1S/C22H21NO5S/c1-13-2-10-18(11-3-13)29(26,27)28-17-8-6-16(7-9-17)23-21(24)19-14-4-5-15(12-14)20(19)22(23)25/h2-3,6-11,14-15,19-20H,4-5,12H2,1H3
InChIKey LJBRUJGOZAZHRY-UHFFFAOYSA-N
Mol Weight 411.47 g/mol
Molecular Formula C22H21NO5S
Exact Mass 411.114044 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2U3CZj04DjZ
Name 4-(1,3-dioxohexahydro-1H-4,7-methanoisoindol-2(3H)-yl)phenyl 4-methylbenzenesulfonate
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C22H21NO5S/c1-13-2-10-18(11-3-13)29(26,27)28-17-8-6-16(7-9-17)23-21(24)19-14-4-5-15(12-14)20(19)22(23)25/h2-3,6-11,14-15,19-20H,4-5,12H2,1H3
InChIKey LJBRUJGOZAZHRY-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_593
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: NMR/11258574