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ethyl 4-acetyl-5-{[(5-allyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]methyl}-3-methyl-1H-pyrrole-2-carboxylate
SpectraBase Compound ID 5Rkqcw1BlKq
InChI InChI=1S/C23H23N5O3S/c1-5-11-28-17-10-8-7-9-15(17)20-21(28)25-23(27-26-20)32-12-16-18(14(4)29)13(3)19(24-16)22(30)31-6-2/h5,7-10,24H,1,6,11-12H2,2-4H3
InChIKey DOWOKNWBKWOSMZ-UHFFFAOYSA-N
Mol Weight 449.53 g/mol
Molecular Formula C23H23N5O3S
Exact Mass 449.152161 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Ir8TrpxYEtj
Name ethyl 4-acetyl-5-{[(5-allyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]methyl}-3-methyl-1H-pyrrole-2-carboxylate
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/C23H23N5O3S/c1-5-11-28-17-10-8-7-9-15(17)20-21(28)25-23(27-26-20)32-12-16-18(14(4)29)13(3)19(24-16)22(30)31-6-2/h5,7-10,24H,1,6,11-12H2,2-4H3
InChIKey DOWOKNWBKWOSMZ-UHFFFAOYSA-N
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_2850
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/9251438; Labnumber: L-23,Kulikova