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2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
SpectraBase Compound ID GhHW5DIW8tI
InChI InChI=1S/C22H28N4O3S/c1-15-2-4-17-20(10-15)30-22(23-17)24-21(27)13-26-8-6-25(7-9-26)12-16-3-5-18-19(11-16)29-14-28-18/h3,5,11,15H,2,4,6-10,12-14H2,1H3,(H,23,24,27)
InChIKey XAGNLBUSNVEALG-UHFFFAOYSA-N
Mol Weight 428.55 g/mol
Molecular Formula C22H28N4O3S
Exact Mass 428.188212 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BmSqpTxRf9L
Name 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
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/C22H28N4O3S/c1-15-2-4-17-20(10-15)30-22(23-17)24-21(27)13-26-8-6-25(7-9-26)12-16-3-5-18-19(11-16)29-14-28-18/h3,5,11,15H,2,4,6-10,12-14H2,1H3,(H,23,24,27)
InChIKey XAGNLBUSNVEALG-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_18013
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: D31608; Labnumber: VGU-18559; SBI_ID: SBI-018016
Temperature 318 °C