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7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 6-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylene]-5,6-dihydro-5-imino-2-propyl-,
SpectraBase Compound ID F8WLjEXYunT
InChI InChI=1S/C23H21FN4O3S/c1-3-6-20-27-28-21(25)16(22(29)26-23(28)32-20)11-14-9-10-18(19(12-14)30-2)31-13-15-7-4-5-8-17(15)24/h4-5,7-12,25H,3,6,13H2,1-2H3/b16-11-,25-21?
InChIKey DJWOYEKRQIJJAG-HPFDFQMNSA-N
Mol Weight 452.5 g/mol
Molecular Formula C23H21FN4O3S
Exact Mass 452.13184 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1wqO2Vh5SLY
Name 7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 6-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylene]-5,6-dihydro-5-imino-2-propyl-,
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 452.131839886 u
Formula C23H21FN4O3S
InChI InChI=1S/C23H21FN4O3S/c1-3-6-20-27-28-21(25)16(22(29)26-23(28)32-20)11-14-9-10-18(19(12-14)30-2)31-13-15-7-4-5-8-17(15)24/h4-5,7-12,25H,3,6,13H2,1-2H3/b16-11-,25-21?
InChIKey DJWOYEKRQIJJAG-HPFDFQMNSA-N
Molecular Weight 452.504 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_15586
Solvent DMSO-d6
Source Vendor ID: ZI/10033553; Lab Info: CEP; Lab Number: CEP-6700250