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acetic acid, [[7-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylcarbonyl)-3,4-dihydro-3-[(2-methoxyphenyl)methyl]-4-oxo-2-quinazolinyl]thio]-, ethyl ester

View entire compound with spectra: 1 NMR

acetic acid, [[7-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylcarbonyl)-3,4-dihydro-3-[(2-methoxyphenyl)methyl]-4-oxo-2-quinazolinyl]thio]-, ethyl ester
SpectraBase Compound ID I3uO8fvRQRk
InChI InChI=1S/C28H31N3O7S/c1-3-36-24(32)18-39-27-29-22-16-19(25(33)30-12-10-28(11-13-30)37-14-15-38-28)8-9-21(22)26(34)31(27)17-20-6-4-5-7-23(20)35-2/h4-9,16H,3,10-15,17-18H2,1-2H3
InChIKey MFTBBJFSQFYBHN-UHFFFAOYSA-N
Mol Weight 553.63 g/mol
Molecular Formula C28H31N3O7S
Exact Mass 553.188272 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5ucWlWeme7y
Name acetic acid, [[7-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylcarbonyl)-3,4-dihydro-3-[(2-methoxyphenyl)methyl]-4-oxo-2-quinazolinyl]thio]-, 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/C28H31N3O7S/c1-3-36-24(32)18-39-27-29-22-16-19(25(33)30-12-10-28(11-13-30)37-14-15-38-28)8-9-21(22)26(34)31(27)17-20-6-4-5-7-23(20)35-2/h4-9,16H,3,10-15,17-18H2,1-2H3
InChIKey MFTBBJFSQFYBHN-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_358
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/10318972