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acetamide, N-(4-fluorophenyl)-2-[(2,3,6,7-tetrahydro-1,3,7-trimethyl-2,6-dioxo-1H-purin-8-yl)thio]-
SpectraBase Compound ID FdTxZmvhUbq
InChI InChI=1S/C16H16FN5O3S/c1-20-12-13(21(2)16(25)22(3)14(12)24)19-15(20)26-8-11(23)18-10-6-4-9(17)5-7-10/h4-7H,8H2,1-3H3,(H,18,23)
InChIKey HMCUYBHPLUSXRR-UHFFFAOYSA-N
Mol Weight 377.39 g/mol
Molecular Formula C16H16FN5O3S
Exact Mass 377.095789 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EDCcrrEVF3q
Name acetamide, N-(4-fluorophenyl)-2-[(2,3,6,7-tetrahydro-1,3,7-trimethyl-2,6-dioxo-1H-purin-8-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 377.095788729 u
Formula C16H16FN5O3S
InChI InChI=1S/C16H16FN5O3S/c1-20-12-13(21(2)16(25)22(3)14(12)24)19-15(20)26-8-11(23)18-10-6-4-9(17)5-7-10/h4-7H,8H2,1-3H3,(H,18,23)
InChIKey HMCUYBHPLUSXRR-UHFFFAOYSA-N
Molecular Weight 377.394 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_212
Solvent DMSO-d6
Source Vendor ID: ZI/8073858; Lab Info: LP; Lab Number: LP-3700378
Temperature 29.85 °C