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1-piperazinecarbothioamide, 4-[2-[(5,5-dimethyl-3-oxo-1-cyclohexen-1-yl)amino]ethyl]-N-phenyl-
SpectraBase Compound ID HF3vbsAXFmi
InChI InChI=1S/C21H30N4OS/c1-21(2)15-18(14-19(26)16-21)22-8-9-24-10-12-25(13-11-24)20(27)23-17-6-4-3-5-7-17/h3-7,14,22H,8-13,15-16H2,1-2H3,(H,23,27)
InChIKey WDHZHGAYFKXLSW-UHFFFAOYSA-N
Mol Weight 386.56 g/mol
Molecular Formula C21H30N4OS
Exact Mass 386.214033 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6QkLRJhaaKo
Name 1-piperazinecarbothioamide, 4-[2-[(5,5-dimethyl-3-oxo-1-cyclohexen-1-yl)amino]ethyl]-N-phenyl-
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2025 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C21H30N4OS/c1-21(2)15-18(14-19(26)16-21)22-8-9-24-10-12-25(13-11-24)20(27)23-17-6-4-3-5-7-17/h3-7,14,22H,8-13,15-16H2,1-2H3,(H,23,27)
InChIKey WDHZHGAYFKXLSW-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_152
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: NMR/11249802