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ethyl {[3-(4-bromophenyl)-6,6-dimethyl-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate

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ethyl {[3-(4-bromophenyl)-6,6-dimethyl-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate
SpectraBase Compound ID HjGz6eIv1gK
InChI InChI=1S/C21H21BrN2O4S2/c1-4-27-16(25)11-29-20-23-18-17(14-9-21(2,3)28-10-15(14)30-18)19(26)24(20)13-7-5-12(22)6-8-13/h5-8H,4,9-11H2,1-3H3
InChIKey VMRBQFAGMAJMJW-UHFFFAOYSA-N
Mol Weight 509.43 g/mol
Molecular Formula C21H21BrN2O4S2
Exact Mass 508.012613 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 122GG0DvqPO
Name ethyl {[3-(4-bromophenyl)-6,6-dimethyl-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate
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/C21H21BrN2O4S2/c1-4-27-16(25)11-29-20-23-18-17(14-9-21(2,3)28-10-15(14)30-18)19(26)24(20)13-7-5-12(22)6-8-13/h5-8H,4,9-11H2,1-3H3
InChIKey VMRBQFAGMAJMJW-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_12182
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: 801278; Labnumber: AE95-823; VK_ID: VK-012187
Temperature 308 °C