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4-thiazolidinone, 3-(4-amino-1,2,5-oxadiazol-3-yl)-2-imino-5-[[5-(2,4,5-trichlorophenyl)-2-furanyl]methylene]-, (5E)-
SpectraBase Compound ID IxQj5xl5Ou4
InChI InChI=1S/C16H8Cl3N5O3S/c17-8-5-10(19)9(18)4-7(8)11-2-1-6(26-11)3-12-15(25)24(16(21)28-12)14-13(20)22-27-23-14/h1-5,21H,(H2,20,22)/b12-3+,21-16?
InChIKey OIPAZCAFQBLVNT-YFSGMEMOSA-N
Mol Weight 456.69 g/mol
Molecular Formula C16H8Cl3N5O3S
Exact Mass 454.941343 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Aoj2jD5iWeE
Name 4-thiazolidinone, 3-(4-amino-1,2,5-oxadiazol-3-yl)-2-imino-5-[[5-(2,4,5-trichlorophenyl)-2-furanyl]methylene]-, (5E)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 454.941343409 u
Formula C16H8Cl3N5O3S
InChI InChI=1S/C16H8Cl3N5O3S/c17-8-5-10(19)9(18)4-7(8)11-2-1-6(26-11)3-12-15(25)24(16(21)28-12)14-13(20)22-27-23-14/h1-5,21H,(H2,20,22)/b12-3+,21-16?
InChIKey OIPAZCAFQBLVNT-YFSGMEMOSA-N
Molecular Weight 456.691 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_13469
Solvent DMSO-d6
Source Vendor ID: NMR/10260164; Lab Info: SAD; Lab Number: SAD-EXC0012