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3-(1,3-dioxohexahydro-1H-4,7-methanoisoindol-2(3H)-yl)phenyl 4-methylbenzenesulfonate
SpectraBase Compound ID 1MjyDwKUp9u
InChI InChI=1S/C22H21NO5S/c1-13-5-9-18(10-6-13)29(26,27)28-17-4-2-3-16(12-17)23-21(24)19-14-7-8-15(11-14)20(19)22(23)25/h2-6,9-10,12,14-15,19-20H,7-8,11H2,1H3
InChIKey JNTCXBPGPSVBAU-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 BYM2a7YSDdR
Name 3-(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/c1-13-5-9-18(10-6-13)29(26,27)28-17-4-2-3-16(12-17)23-21(24)19-14-7-8-15(11-14)20(19)22(23)25/h2-6,9-10,12,14-15,19-20H,7-8,11H2,1H3
InChIKey JNTCXBPGPSVBAU-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_594
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/11258575