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acetamide, N-(4-fluoro-3-nitrophenyl)-2-[(3,5,6,7-tetrahydro-4-oxo-3-phenyl-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio]-
SpectraBase Compound ID P5Maplg8i7
InChI InChI=1S/C23H17FN4O4S2/c24-16-10-9-13(11-17(16)28(31)32)25-19(29)12-33-23-26-21-20(15-7-4-8-18(15)34-21)22(30)27(23)14-5-2-1-3-6-14/h1-3,5-6,9-11H,4,7-8,12H2,(H,25,29)
InChIKey CWHAWZLHIZGHHE-UHFFFAOYSA-N
Mol Weight 496.53 g/mol
Molecular Formula C23H17FN4O4S2
Exact Mass 496.067526 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 27kbysbsuoD
Name acetamide, N-(4-fluoro-3-nitrophenyl)-2-[(3,5,6,7-tetrahydro-4-oxo-3-phenyl-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 496.067525550 u
Formula C23H17FN4O4S2
InChI InChI=1S/C23H17FN4O4S2/c24-16-10-9-13(11-17(16)28(31)32)25-19(29)12-33-23-26-21-20(15-7-4-8-18(15)34-21)22(30)27(23)14-5-2-1-3-6-14/h1-3,5-6,9-11H,4,7-8,12H2,(H,25,29)
InChIKey CWHAWZLHIZGHHE-UHFFFAOYSA-N
Molecular Weight 496.531 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_14070
Solvent DMSO-d6
Source Vendor ID: NMR/10300240; Lab Info: LP; Lab Number: LP-217734