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butanoic acid, 2-[[[4-[3-(1H-indol-3-yl)-1-oxopropyl]-1-piperazinyl]carbonyl]amino]-3-methyl-, methyl ester, (2S)-
SpectraBase Compound ID 9rzqWzaD17r
InChI InChI=1S/C22H30N4O4/c1-15(2)20(21(28)30-3)24-22(29)26-12-10-25(11-13-26)19(27)9-8-16-14-23-18-7-5-4-6-17(16)18/h4-7,14-15,20,23H,8-13H2,1-3H3,(H,24,29)
InChIKey QVLCNIHZRWMJDK-UHFFFAOYSA-N
Mol Weight 414.51 g/mol
Molecular Formula C22H30N4O4
Exact Mass 414.226705 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BeuYivToak
Name butanoic acid, 2-[[[4-[3-(1H-indol-3-yl)-1-oxopropyl]-1-piperazinyl]carbonyl]amino]-3-methyl-, methyl ester, (2S)-
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/C22H30N4O4/c1-15(2)20(21(28)30-3)24-22(29)26-12-10-25(11-13-26)19(27)9-8-16-14-23-18-7-5-4-6-17(16)18/h4-7,14-15,20,23H,8-13H2,1-3H3,(H,24,29)
InChIKey QVLCNIHZRWMJDK-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_7201
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: F30174; Labnumber: EXP16Exi004886