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7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 6-[[2-[2-(4-bromophenoxy)ethoxy]phenyl]methylene]-5,6-dihydro-5-imino-2-propyl-, (6Z)-
SpectraBase Compound ID ABn3DItlVKU
InChI InChI=1S/C23H21BrN4O3S/c1-2-5-20-27-28-21(25)18(22(29)26-23(28)32-20)14-15-6-3-4-7-19(15)31-13-12-30-17-10-8-16(24)9-11-17/h3-4,6-11,14,25H,2,5,12-13H2,1H3/b18-14-,25-21?
InChIKey CKWFZEWBISPZRV-OCTOJFLBSA-N
Mol Weight 513.41 g/mol
Molecular Formula C23H21BrN4O3S
Exact Mass 512.051775 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 38jtLXBUSqK
Name 7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 6-[[2-[2-(4-bromophenoxy)ethoxy]phenyl]methylene]-5,6-dihydro-5-imino-2-propyl-, (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 512.051774723 u
Formula C23H21BrN4O3S
InChI InChI=1S/C23H21BrN4O3S/c1-2-5-20-27-28-21(25)18(22(29)26-23(28)32-20)14-15-6-3-4-7-19(15)31-13-12-30-17-10-8-16(24)9-11-17/h3-4,6-11,14,25H,2,5,12-13H2,1H3/b18-14-,25-21?
InChIKey CKWFZEWBISPZRV-OCTOJFLBSA-N
Molecular Weight 513.410 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_17071
Solvent DMSO-d6
Source Vendor ID: ZI/10032984; Lab Info: CEP; Lab Number: CEP-6700636