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carbamimidothioic acid, N-(1,3-benzodioxol-5-yl)-N'-[(E)-methyl]-, 1-(4-iodophenyl)-2,5-dioxo-3-pyrrolidinyl ester
SpectraBase Compound ID 4GHLauqITSy
InChI InChI=1S/C19H16IN3O4S/c1-21-19(22-12-4-7-14-15(8-12)27-10-26-14)28-16-9-17(24)23(18(16)25)13-5-2-11(20)3-6-13/h2-8,16H,9-10H2,1H3,(H,21,22)
InChIKey PTRCKDOGLIXWIH-UHFFFAOYSA-N
Mol Weight 509.32 g/mol
Molecular Formula C19H16IN3O4S
Exact Mass 508.990622 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AJrWsOj6k5
Name carbamimidothioic acid, N-(1,3-benzodioxol-5-yl)-N'-[(E)-methyl]-, 1-(4-iodophenyl)-2,5-dioxo-3-pyrrolidinyl ester
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 508.990622177 u
Formula C19H16IN3O4S
InChI InChI=1S/C19H16IN3O4S/c1-21-19(22-12-4-7-14-15(8-12)27-10-26-14)28-16-9-17(24)23(18(16)25)13-5-2-11(20)3-6-13/h2-8,16H,9-10H2,1H3,(H,21,22)
InChIKey PTRCKDOGLIXWIH-UHFFFAOYSA-N
Molecular Weight 509.318 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_963
Solvent DMSO-d6
Source Vendor ID: ZI/8092592; Lab Info: PE; Lab Number: PE-0002758