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2-[3-bromanyl-4-(naphthalen-1-ylmethoxy)phenyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
SpectraBase Compound ID HuL7d9tyxz9
InChI InChI=1S/C27H21BrN2O2S/c28-21-14-17(25-29-26(31)24-20-10-3-4-11-23(20)33-27(24)30-25)12-13-22(21)32-15-18-8-5-7-16-6-1-2-9-19(16)18/h1-2,5-9,12-14H,3-4,10-11,15H2,(H,29,30,31)
InChIKey SAQFIHYPPWWZGY-UHFFFAOYSA-N
Mol Weight 517.44 g/mol
Molecular Formula C27H21BrN2O2S
Exact Mass 516.050712 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7yoI7Ls0Zhl
Name benzo[4,5]thieno[2,3-d]pyrimidin-4-ol, 2-[3-bromo-4-(1-naphthalenylmethoxy)phenyl]-5,6,7,8-tetrahydro-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 516.050712096 u
Formula C27H21BrN2O2S
InChI InChI=1S/C27H21BrN2O2S/c28-21-14-17(25-29-26(31)24-20-10-3-4-11-23(20)33-27(24)30-25)12-13-22(21)32-15-18-8-5-7-16-6-1-2-9-19(16)18/h1-2,5-9,12-14H,3-4,10-11,15H2,(H,29,30,31)
InChIKey SAQFIHYPPWWZGY-UHFFFAOYSA-N
Molecular Weight 517.441 g/mol
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_5300
Solvent DMSO-d6
Source Vendor ID: ZI/8167472; Lab Info: LD; Lab Number: LD-6a06742