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3-(3-chloroisoxazol-5-yl)-N-(pyridin-4-ylmethyl)-N-(2-(pyrrolidin-1-ylsulfonyl)ethyl)propanamide oxalate

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3-(3-chloroisoxazol-5-yl)-N-(pyridin-4-ylmethyl)-N-(2-(pyrrolidin-1-ylsulfonyl)ethyl)propanamide oxalate
SpectraBase Compound ID KYXNcfNsbgi
InChI InChI=1S/C18H23ClN4O4S.C2H2O4/c19-17-13-16(27-21-17)3-4-18(24)22(14-15-5-7-20-8-6-15)11-12-28(25,26)23-9-1-2-10-23;3-1(4)2(5)6/h5-8,13H,1-4,9-12,14H2;(H,3,4)(H,5,6)
InChIKey BIERTQZIIOZFPW-UHFFFAOYSA-N
Mol Weight 516.95 g/mol
Molecular Formula C20H25ClN4O8S
Exact Mass 516.108163 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FeUX0m2gDon
Name 3-(3-chloroisoxazol-5-yl)-N-(pyridin-4-ylmethyl)-N-(2-(pyrrolidin-1-ylsulfonyl)ethyl)propanamide oxalate
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/C18H23ClN4O4S.C2H2O4/c19-17-13-16(27-21-17)3-4-18(24)22(14-15-5-7-20-8-6-15)11-12-28(25,26)23-9-1-2-10-23;3-1(4)2(5)6/h5-8,13H,1-4,9-12,14H2;(H,3,4)(H,5,6)
InChIKey BIERTQZIIOZFPW-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_1366
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: F08682; Labnumber: MEDZ-00605