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acetamide, N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[3,4-dihydro-4-oxo-3-(phenylmethyl)-6-(1-piperidinyl)-2-quinazolinyl]thio]-

View entire compound with spectra: 1 NMR

acetamide, N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[3,4-dihydro-4-oxo-3-(phenylmethyl)-6-(1-piperidinyl)-2-quinazolinyl]thio]-
SpectraBase Compound ID 67sE23CB7qO
InChI InChI=1S/C29H26ClF3N4O2S/c30-23-11-9-20(29(31,32)33)15-25(23)34-26(38)18-40-28-35-24-12-10-21(36-13-5-2-6-14-36)16-22(24)27(39)37(28)17-19-7-3-1-4-8-19/h1,3-4,7-12,15-16H,2,5-6,13-14,17-18H2,(H,34,38)
InChIKey JXQXJNLSPWTSBZ-UHFFFAOYSA-N
Mol Weight 587.06 g/mol
Molecular Formula C29H26ClF3N4O2S
Exact Mass 586.141709 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FKCTXCBJo1F
Name acetamide, N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[3,4-dihydro-4-oxo-3-(phenylmethyl)-6-(1-piperidinyl)-2-quinazolinyl]thio]-
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/C29H26ClF3N4O2S/c30-23-11-9-20(29(31,32)33)15-25(23)34-26(38)18-40-28-35-24-12-10-21(36-13-5-2-6-14-36)16-22(24)27(39)37(28)17-19-7-3-1-4-8-19/h1,3-4,7-12,15-16H,2,5-6,13-14,17-18H2,(H,34,38)
InChIKey JXQXJNLSPWTSBZ-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_6645
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/11328262