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(4E)-2-(1,3-benzothiazol-2-yl)-4-({[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]amino}methylene)-5-methyl-2,4-dihydro-3H-pyrazol-3-one

View entire compound with spectra: 1 NMR

(4E)-2-(1,3-benzothiazol-2-yl)-4-({[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]amino}methylene)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
SpectraBase Compound ID 5LwEGq7a7us
InChI InChI=1S/C16H18N4O4S/c1-10-11(6-17-16(7-21,8-22)9-23)14(24)20(19-10)15-18-12-4-2-3-5-13(12)25-15/h2-6,17,21-23H,7-9H2,1H3/b11-6+
InChIKey YCQNICMHPFPQRH-IZZDOVSWSA-N
Mol Weight 362.4 g/mol
Molecular Formula C16H18N4O4S
Exact Mass 362.104876 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8RN0kttKXlh
Name (4E)-2-(1,3-benzothiazol-2-yl)-4-({[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]amino}methylene)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
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/C16H18N4O4S/c1-10-11(6-17-16(7-21,8-22)9-23)14(24)20(19-10)15-18-12-4-2-3-5-13(12)25-15/h2-6,17,21-23H,7-9H2,1H3/b11-6+
InChIKey YCQNICMHPFPQRH-IZZDOVSWSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_13234
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: 102425; Labnumber: VOR6-8003; VK_ID: VK-013239
Synonyms 2-(1,3-benzothiazol-2-yl)-4-({[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]amino}methylene)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Temperature 318 °C