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ethyl 3-({[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-4-piperidinyl]carbonyl}amino)benzoate
SpectraBase Compound ID J5h36ENuP5n
InChI InChI=1S/C21H22N4O5S2/c1-2-30-21(27)15-5-3-6-16(13-15)22-20(26)14-9-11-25(12-10-14)32(28,29)18-8-4-7-17-19(18)24-31-23-17/h3-8,13-14H,2,9-12H2,1H3,(H,22,26)
InChIKey IZWLLWADNYFHGW-UHFFFAOYSA-N
Mol Weight 474.55 g/mol
Molecular Formula C21H22N4O5S2
Exact Mass 474.103162 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4rkX5vFCbEN
Name ethyl 3-({[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-4-piperidinyl]carbonyl}amino)benzoate
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/C21H22N4O5S2/c1-2-30-21(27)15-5-3-6-16(13-15)22-20(26)14-9-11-25(12-10-14)32(28,29)18-8-4-7-17-19(18)24-31-23-17/h3-8,13-14H,2,9-12H2,1H3,(H,22,26)
InChIKey IZWLLWADNYFHGW-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_35984
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: E98185; SBI_ID: SBI-035988
Temperature 308 °C