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4-(1,3-benzodioxol-5-ylmethyl)-N-(2,4-dichlorophenyl)-1-piperazinecarbothioamide

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4-(1,3-benzodioxol-5-ylmethyl)-N-(2,4-dichlorophenyl)-1-piperazinecarbothioamide
SpectraBase Compound ID 17QnQFOBJgv
InChI InChI=1S/C19H19Cl2N3O2S/c20-14-2-3-16(15(21)10-14)22-19(27)24-7-5-23(6-8-24)11-13-1-4-17-18(9-13)26-12-25-17/h1-4,9-10H,5-8,11-12H2,(H,22,27)
InChIKey QZUHQQRQSAMJQW-UHFFFAOYSA-N
Mol Weight 424.35 g/mol
Molecular Formula C19H19Cl2N3O2S
Exact Mass 423.057503 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3atZDv9rk9X
Name 4-(1,3-benzodioxol-5-ylmethyl)-N-(2,4-dichlorophenyl)-1-piperazinecarbothioamide
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/C19H19Cl2N3O2S/c20-14-2-3-16(15(21)10-14)22-19(27)24-7-5-23(6-8-24)11-13-1-4-17-18(9-13)26-12-25-17/h1-4,9-10H,5-8,11-12H2,(H,22,27)
InChIKey QZUHQQRQSAMJQW-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_10528
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: 1003310; UBI_ID: UBI-010531
Temperature 313 °C