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1,3-dimethyl 5-[(3-{3,5-dioxo-4-azatricyclo[5.2.1.0(2,6)]dec-8-en-4-yl}-4-(morpholin-4-yl)benzenesulfonyl)methyl]benzene-1,3-dicarboxylate
SpectraBase Compound ID HjjmyH1hx7n
InChI InChI=1S/C29H29N3O9S/c1-39-28(35)18-12-19(29(36)40-2)14-20(13-18)30-42(37,38)21-5-6-22(31-7-9-41-10-8-31)23(15-21)32-26(33)24-16-3-4-17(11-16)25(24)27(32)34/h3-6,12-17,24-25,30H,7-11H2,1-2H3
InChIKey OXOSAOPQRJDHME-UHFFFAOYSA-N
Mol Weight 595.62 g/mol
Molecular Formula C29H29N3O9S
Exact Mass 595.162451 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KTUIoFgsPcy
Name 1,3-dimethyl 5-[(3-{3,5-dioxo-4-azatricyclo[5.2.1.0(2,6)]dec-8-en-4-yl}-4-(morpholin-4-yl)benzenesulfonyl)methyl]benzene-1,3-dicarboxylate
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 595.162450691 u
Formula C29H29N3O9S
InChI InChI=1S/C29H29N3O9S/c1-39-28(35)18-12-19(29(36)40-2)14-20(13-18)30-42(37,38)21-5-6-22(31-7-9-41-10-8-31)23(15-21)32-26(33)24-16-3-4-17(11-16)25(24)27(32)34/h3-6,12-17,24-25,30H,7-11H2,1-2H3
InChIKey OXOSAOPQRJDHME-UHFFFAOYSA-N
Molecular Weight 595.623 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_9409
Solvent DMSO-d6
Source Vendor ID: ZI/9068411; Lab Info: KWN; Lab Number: KWN-0003523