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3-chloro-N-{3-[(2,3-dihydroxypropyl)sulfanyl]-5-nitrophenyl}propanamide
SpectraBase Compound ID 9CK4Lyv3TcA
InChI InChI=1S/C12H15ClN2O5S/c13-2-1-12(18)14-8-3-9(15(19)20)5-11(4-8)21-7-10(17)6-16/h3-5,10,16-17H,1-2,6-7H2,(H,14,18)
InChIKey PDJBCKARQXCUCH-UHFFFAOYSA-N
Mol Weight 334.77 g/mol
Molecular Formula C12H15ClN2O5S
Exact Mass 334.03902 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1eJehDhF3vD
Name 3-chloro-N-{3-[(2,3-dihydroxypropyl)sulfanyl]-5-nitrophenyl}propanamide
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/C12H15ClN2O5S/c13-2-1-12(18)14-8-3-9(15(19)20)5-11(4-8)21-7-10(17)6-16/h3-5,10,16-17H,1-2,6-7H2,(H,14,18)
InChIKey PDJBCKARQXCUCH-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_14386
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: UZI/1015264; UBI_ID: UBI-014389
Temperature 318 °C