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4-{[(3-hydroxypropyl)amino]carbonyl}-1-[2-oxo-2-(2-thienyl)ethyl]pyridinium hydroxy-lambda~3~-chloranolate dioxide
SpectraBase Compound ID KmeYlr0jYAS
InChI InChI=1S/C15H16N2O3S.ClH3O4/c18-9-2-6-16-15(20)12-4-7-17(8-5-12)11-13(19)14-3-1-10-21-14;2-1(3,4)5/h1,3-5,7-8,10,18H,2,6,9,11H2;1H,(H2,2,3,4,5)
InChIKey HHZAFMJHVOSYFQ-UHFFFAOYSA-N
Mol Weight 405.83 g/mol
Molecular Formula C15H18ClN2O7S
Exact Mass 405.052325 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 51mjcv2Nzcn
Name 4-{[(3-hydroxypropyl)amino]carbonyl}-1-[2-oxo-2-(2-thienyl)ethyl]pyridinium hydroxy-lambda~3~-chloranolate dioxide
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/C15H16N2O3S.ClH3O4/c18-9-2-6-16-15(20)12-4-7-17(8-5-12)11-13(19)14-3-1-10-21-14;2-1(3,4)5/h1,3-5,7-8,10,18H,2,6,9,11H2;1H,(H2,2,3,4,5)
InChIKey HHZAFMJHVOSYFQ-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_5868
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: 121761; Labnumber: EX00112030; VK_ID: VK-005871
Temperature 318 °C