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1,3-benzenedicarboxylic acid, 5-[[[3-amino-4-(1-piperidinyl)phenyl]sulfonyl]amino]-, dimethyl ester
SpectraBase Compound ID 2Bu1qkZMGL2
InChI InChI=1S/C21H25N3O6S/c1-29-20(25)14-10-15(21(26)30-2)12-16(11-14)23-31(27,28)17-6-7-19(18(22)13-17)24-8-4-3-5-9-24/h6-7,10-13,23H,3-5,8-9,22H2,1-2H3
InChIKey WSFHDSNUVGSWKD-UHFFFAOYSA-N
Mol Weight 447.51 g/mol
Molecular Formula C21H25N3O6S
Exact Mass 447.146407 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9YrUWlL2GyU
Name 1,3-benzenedicarboxylic acid, 5-[[[3-amino-4-(1-piperidinyl)phenyl]sulfonyl]amino]-, dimethyl 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 447.146406705 u
Formula C21H25N3O6S
InChI InChI=1S/C21H25N3O6S/c1-29-20(25)14-10-15(21(26)30-2)12-16(11-14)23-31(27,28)17-6-7-19(18(22)13-17)24-8-4-3-5-9-24/h6-7,10-13,23H,3-5,8-9,22H2,1-2H3
InChIKey WSFHDSNUVGSWKD-UHFFFAOYSA-N
Molecular Weight 447.506 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_9410
Solvent DMSO-d6
Source Vendor ID: ZI/9069450; Lab Info: KWN; Lab Number: KWN-0003536