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(4E)-2-(1,3-benzothiazol-2-yl)-4-[(cyclopentylamino)methylene]-5-methyl-2,4-dihydro-3H-pyrazol-3-one
SpectraBase Compound ID 1amSNxIlUMV
InChI InChI=1S/C17H18N4OS/c1-11-13(10-18-12-6-2-3-7-12)16(22)21(20-11)17-19-14-8-4-5-9-15(14)23-17/h4-5,8-10,12,18H,2-3,6-7H2,1H3/b13-10+
InChIKey IUQKOCUZPLAARM-JLHYYAGUSA-N
Mol Weight 326.42 g/mol
Molecular Formula C17H18N4OS
Exact Mass 326.120132 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID I8MCmt4hhDk
Name (4E)-2-(1,3-benzothiazol-2-yl)-4-[(cyclopentylamino)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/C17H18N4OS/c1-11-13(10-18-12-6-2-3-7-12)16(22)21(20-11)17-19-14-8-4-5-9-15(14)23-17/h4-5,8-10,12,18H,2-3,6-7H2,1H3/b13-10+
InChIKey IUQKOCUZPLAARM-JLHYYAGUSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_3293
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/8086011; UBI_ID: UBI-003294
Synonyms 2-(1,3-benzothiazol-2-yl)-4-[(cyclopentylamino)methylene]-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Temperature 308 °C