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4-oxazolecarbonitrile, 2-[3-[(hexahydro-1H-azepin-1-yl)sulfonyl]-4-methoxyphenyl]-5-(4-methyl-1-piperazinyl)-
SpectraBase Compound ID 20nL9GajuCI
InChI InChI=1S/C22H29N5O4S/c1-25-11-13-26(14-12-25)22-18(16-23)24-21(31-22)17-7-8-19(30-2)20(15-17)32(28,29)27-9-5-3-4-6-10-27/h7-8,15H,3-6,9-14H2,1-2H3
InChIKey CALOFLVTVYDRHD-UHFFFAOYSA-N
Mol Weight 459.57 g/mol
Molecular Formula C22H29N5O4S
Exact Mass 459.194026 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 63uCJBJm7TQ
Name 4-oxazolecarbonitrile, 2-[3-[(hexahydro-1H-azepin-1-yl)sulfonyl]-4-methoxyphenyl]-5-(4-methyl-1-piperazinyl)-
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/C22H29N5O4S/c1-25-11-13-26(14-12-25)22-18(16-23)24-21(31-22)17-7-8-19(30-2)20(15-17)32(28,29)27-9-5-3-4-6-10-27/h7-8,15H,3-6,9-14H2,1-2H3
InChIKey CALOFLVTVYDRHD-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_10448
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: F37770; Labnumber: TVIN-03946
Temperature 315 °C