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7-quinazolinecarboxylic acid, 2-[[2-[[2-[4-(aminosulfonyl)phenyl]ethyl]amino]-2-oxoethyl]thio]-3-(1,3-benzodioxol-5-ylmethyl)-3,4-dihydro-4-oxo-, methyl ester

View entire compound with spectra: 1 NMR

7-quinazolinecarboxylic acid, 2-[[2-[[2-[4-(aminosulfonyl)phenyl]ethyl]amino]-2-oxoethyl]thio]-3-(1,3-benzodioxol-5-ylmethyl)-3,4-dihydro-4-oxo-, methyl ester
SpectraBase Compound ID 5rvs8g5u9cl
InChI InChI=1S/C28H26N4O8S2/c1-38-27(35)19-5-8-21-22(13-19)31-28(32(26(21)34)14-18-4-9-23-24(12-18)40-16-39-23)41-15-25(33)30-11-10-17-2-6-20(7-3-17)42(29,36)37/h2-9,12-13H,10-11,14-16H2,1H3,(H,30,33)(H2,29,36,37)
InChIKey JDRFMSZIKCIPET-UHFFFAOYSA-N
Mol Weight 610.66 g/mol
Molecular Formula C28H26N4O8S2
Exact Mass 610.119206 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5s2Nn8iHbqK
Name 7-quinazolinecarboxylic acid, 2-[[2-[[2-[4-(aminosulfonyl)phenyl]ethyl]amino]-2-oxoethyl]thio]-3-(1,3-benzodioxol-5-ylmethyl)-3,4-dihydro-4-oxo-, methyl 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/C28H26N4O8S2/c1-38-27(35)19-5-8-21-22(13-19)31-28(32(26(21)34)14-18-4-9-23-24(12-18)40-16-39-23)41-15-25(33)30-11-10-17-2-6-20(7-3-17)42(29,36)37/h2-9,12-13H,10-11,14-16H2,1H3,(H,30,33)(H2,29,36,37)
InChIKey JDRFMSZIKCIPET-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_356
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/10318969