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2-{[3-(4-ethoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(4-phenoxyphenyl)acetamide
SpectraBase Compound ID 8SE7vCfYYk5
InChI InChI=1S/C32H29N3O4S2/c1-2-38-23-18-14-22(15-19-23)35-31(37)29-26-10-6-7-11-27(26)41-30(29)34-32(35)40-20-28(36)33-21-12-16-25(17-13-21)39-24-8-4-3-5-9-24/h3-5,8-9,12-19H,2,6-7,10-11,20H2,1H3,(H,33,36)
InChIKey YGNMITPMLSOGJR-UHFFFAOYSA-N
Mol Weight 583.7 g/mol
Molecular Formula C32H29N3O4S2
Exact Mass 583.159949 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CSA9rHnduns
Name 2-{[3-(4-ethoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(4-phenoxyphenyl)acetamide
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/C32H29N3O4S2/c1-2-38-23-18-14-22(15-19-23)35-31(37)29-26-10-6-7-11-27(26)41-30(29)34-32(35)40-20-28(36)33-21-12-16-25(17-13-21)39-24-8-4-3-5-9-24/h3-5,8-9,12-19H,2,6-7,10-11,20H2,1H3,(H,33,36)
InChIKey YGNMITPMLSOGJR-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_17343
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: D25612; Labnumber: GRES-04701; SBI_ID: SBI-017346
Temperature 306 °C