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1-piperidinecarboxylic acid, 4-(2-[[2-[(5-methyl-3-isoxazolyl)amino]-2-oxoethyl]thio]-4-oxo-3(4H)-quinazolinyl)-, ethyl ester

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1-piperidinecarboxylic acid, 4-(2-[[2-[(5-methyl-3-isoxazolyl)amino]-2-oxoethyl]thio]-4-oxo-3(4H)-quinazolinyl)-, ethyl ester
SpectraBase Compound ID FW0pHDXKaKn
InChI InChI=1S/C22H25N5O5S/c1-3-31-22(30)26-10-8-15(9-11-26)27-20(29)16-6-4-5-7-17(16)23-21(27)33-13-19(28)24-18-12-14(2)32-25-18/h4-7,12,15H,3,8-11,13H2,1-2H3,(H,24,25,28)
InChIKey VNNACFMMTZLJLI-UHFFFAOYSA-N
Mol Weight 471.53 g/mol
Molecular Formula C22H25N5O5S
Exact Mass 471.15764 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8C387iTpU7L
Name 1-piperidinecarboxylic acid, 4-(2-[[2-[(5-methyl-3-isoxazolyl)amino]-2-oxoethyl]thio]-4-oxo-3(4H)-quinazolinyl)-, ethyl ester
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/C22H25N5O5S/c1-3-31-22(30)26-10-8-15(9-11-26)27-20(29)16-6-4-5-7-17(16)23-21(27)33-13-19(28)24-18-12-14(2)32-25-18/h4-7,12,15H,3,8-11,13H2,1-2H3,(H,24,25,28)
InChIKey VNNACFMMTZLJLI-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_7008
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/10328211