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4-oxazolecarbonitrile, 5-[[2-(dimethylamino)ethyl]amino]-2-[3-[(hexahydro-1H-azepin-1-yl)sulfonyl]-4-methoxyphenyl]-
SpectraBase Compound ID GD9Q14ZdMEi
InChI InChI=1S/C21H29N5O4S/c1-25(2)13-10-23-21-17(15-22)24-20(30-21)16-8-9-18(29-3)19(14-16)31(27,28)26-11-6-4-5-7-12-26/h8-9,14,23H,4-7,10-13H2,1-3H3
InChIKey VPSYMJKPZWDYLG-UHFFFAOYSA-N
Mol Weight 447.55 g/mol
Molecular Formula C21H29N5O4S
Exact Mass 447.194026 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID D3jFQpbp5L9
Name 4-oxazolecarbonitrile, 5-[[2-(dimethylamino)ethyl]amino]-2-[3-[(hexahydro-1H-azepin-1-yl)sulfonyl]-4-methoxyphenyl]-
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/C21H29N5O4S/c1-25(2)13-10-23-21-17(15-22)24-20(30-21)16-8-9-18(29-3)19(14-16)31(27,28)26-11-6-4-5-7-12-26/h8-9,14,23H,4-7,10-13H2,1-3H3
InChIKey VPSYMJKPZWDYLG-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_10420
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: F37738; Labnumber: TVIN-03605
Temperature 315 °C