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4-oxazolecarbonitrile, 5-[[3-(1H-imidazol-1-yl)propyl]amino]-2-[4-methoxy-3-(1-pyrrolidinylsulfonyl)phenyl]-
SpectraBase Compound ID 8BiZxQSo88n
InChI InChI=1S/C21H24N6O4S/c1-30-18-6-5-16(13-19(18)32(28,29)27-10-2-3-11-27)20-25-17(14-22)21(31-20)24-7-4-9-26-12-8-23-15-26/h5-6,8,12-13,15,24H,2-4,7,9-11H2,1H3
InChIKey HBOFJJLMXSWYPW-UHFFFAOYSA-N
Mol Weight 456.52 g/mol
Molecular Formula C21H24N6O4S
Exact Mass 456.157974 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8hH0wx6W74M
Name 4-oxazolecarbonitrile, 5-[[3-(1H-imidazol-1-yl)propyl]amino]-2-[4-methoxy-3-(1-pyrrolidinylsulfonyl)phenyl]-
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/C21H24N6O4S/c1-30-18-6-5-16(13-19(18)32(28,29)27-10-2-3-11-27)20-25-17(14-22)21(31-20)24-7-4-9-26-12-8-23-15-26/h5-6,8,12-13,15,24H,2-4,7,9-11H2,1H3
InChIKey HBOFJJLMXSWYPW-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_10413
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: F37731; Labnumber: TVIN-03562
Temperature 315 °C