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2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-1-(2,6-dimethyl-1H-indol-3-yl)-1-propanone
SpectraBase Compound ID CXpxwIRDk66
InChI InChI=1S/C25H29N3O3/c1-16-4-6-20-21(12-16)26-17(2)24(20)25(29)18(3)28-10-8-27(9-11-28)14-19-5-7-22-23(13-19)31-15-30-22/h4-7,12-13,18,26H,8-11,14-15H2,1-3H3
InChIKey QWLZGIAFGFQUEL-UHFFFAOYSA-N
Mol Weight 419.53 g/mol
Molecular Formula C25H29N3O3
Exact Mass 419.220892 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HQoHsrXzuEA
Name 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-1-(2,6-dimethyl-1H-indol-3-yl)-1-propanone
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/C25H29N3O3/c1-16-4-6-20-21(12-16)26-17(2)24(20)25(29)18(3)28-10-8-27(9-11-28)14-19-5-7-22-23(13-19)31-15-30-22/h4-7,12-13,18,26H,8-11,14-15H2,1-3H3
InChIKey QWLZGIAFGFQUEL-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_10691
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: E01493; Labnumber: SIMAK-02153; SBI_ID: SBI-010694
Temperature 308 °C