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7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 5,6-dihydro-5-imino-2-propyl-6-[[2-(trifluoromethyl)phenyl]methylene]-, (6Z)-
SpectraBase Compound ID BPSQFug0PXa
InChI InChI=1S/C16H13F3N4OS/c1-2-5-12-22-23-13(20)10(14(24)21-15(23)25-12)8-9-6-3-4-7-11(9)16(17,18)19/h3-4,6-8,20H,2,5H2,1H3/b10-8-,20-13?
InChIKey HJYZLPAGIMQRRW-UXIASLOJSA-N
Mol Weight 366.36 g/mol
Molecular Formula C16H13F3N4OS
Exact Mass 366.076217 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2HL62bieXbW
Name 7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 5,6-dihydro-5-imino-2-propyl-6-[[2-(trifluoromethyl)phenyl]methylene]-, (6Z)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 366.076216717 u
Formula C16H13F3N4OS
InChI InChI=1S/C16H13F3N4OS/c1-2-5-12-22-23-13(20)10(14(24)21-15(23)25-12)8-9-6-3-4-7-11(9)16(17,18)19/h3-4,6-8,20H,2,5H2,1H3/b10-8-,20-13?
InChIKey HJYZLPAGIMQRRW-UXIASLOJSA-N
Molecular Weight 366.362 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_17065
Solvent DMSO-d6
Source Vendor ID: ZI/10031492; Lab Info: CEP; Lab Number: CEP-6700060