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3-allyl-2-[(3,4-dichlorobenzyl)sulfanyl]-6,6-dimethyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one

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3-allyl-2-[(3,4-dichlorobenzyl)sulfanyl]-6,6-dimethyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
SpectraBase Compound ID F67D121uZUO
InChI InChI=1S/C21H20Cl2N2O2S2/c1-4-7-25-19(26)17-13-9-21(2,3)27-10-16(13)29-18(17)24-20(25)28-11-12-5-6-14(22)15(23)8-12/h4-6,8H,1,7,9-11H2,2-3H3
InChIKey SLIOGDSNJIRMQP-UHFFFAOYSA-N
Mol Weight 467.43 g/mol
Molecular Formula C21H20Cl2N2O2S2
Exact Mass 466.034326 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AU4gGZgABgv
Name 3-allyl-2-[(3,4-dichlorobenzyl)sulfanyl]-6,6-dimethyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
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/C21H20Cl2N2O2S2/c1-4-7-25-19(26)17-13-9-21(2,3)27-10-16(13)29-18(17)24-20(25)28-11-12-5-6-14(22)15(23)8-12/h4-6,8H,1,7,9-11H2,2-3H3
InChIKey SLIOGDSNJIRMQP-UHFFFAOYSA-N
NMR Offset 16.5281
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_5707
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: UZI/8168680; UBI_ID: UBI-005709
Temperature 308 °C