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3-allyl-2-[(4-fluorobenzyl)sulfanyl]-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
SpectraBase Compound ID 5zyRZn6sTjx
InChI InChI=1S/C21H21FN2OS2/c1-3-10-24-20(25)18-16-9-4-13(2)11-17(16)27-19(18)23-21(24)26-12-14-5-7-15(22)8-6-14/h3,5-8,13H,1,4,9-12H2,2H3
InChIKey HTWCUDUELZVOLJ-UHFFFAOYSA-N
Mol Weight 400.53 g/mol
Molecular Formula C21H21FN2OS2
Exact Mass 400.107934 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HdJJtVZugeJ
Name 3-allyl-2-[(4-fluorobenzyl)sulfanyl]-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-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/C21H21FN2OS2/c1-3-10-24-20(25)18-16-9-4-13(2)11-17(16)27-19(18)23-21(24)26-12-14-5-7-15(22)8-6-14/h3,5-8,13H,1,4,9-12H2,2H3
InChIKey HTWCUDUELZVOLJ-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_14053
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: MAY-13/0137; UBI_ID: UBI-014056
Temperature 318 °C