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carbamimidothioic acid, N-(1,3-benzodioxol-5-ylmethyl)-N'-phenyl-, 1-(2,4-dimethylphenyl)-2,5-dioxo-3-pyrrolidinyl ester

View entire compound with spectra: 1 NMR

carbamimidothioic acid, N-(1,3-benzodioxol-5-ylmethyl)-N'-phenyl-, 1-(2,4-dimethylphenyl)-2,5-dioxo-3-pyrrolidinyl ester
SpectraBase Compound ID 6Bdx9C8yffF
InChI InChI=1S/C27H25N3O4S/c1-17-8-10-21(18(2)12-17)30-25(31)14-24(26(30)32)35-27(29-20-6-4-3-5-7-20)28-15-19-9-11-22-23(13-19)34-16-33-22/h3-13,24H,14-16H2,1-2H3,(H,28,29)
InChIKey KYEGNAUTLUUHBG-UHFFFAOYSA-N
Mol Weight 487.57 g/mol
Molecular Formula C27H25N3O4S
Exact Mass 487.156577 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8WEEiAUhGZd
Name carbamimidothioic acid, N-(1,3-benzodioxol-5-ylmethyl)-N'-phenyl-, 1-(2,4-dimethylphenyl)-2,5-dioxo-3-pyrrolidinyl ester
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C27H25N3O4S/c1-17-8-10-21(18(2)12-17)30-25(31)14-24(26(30)32)35-27(29-20-6-4-3-5-7-20)28-15-19-9-11-22-23(13-19)34-16-33-22/h3-13,24H,14-16H2,1-2H3,(H,28,29)
InChIKey KYEGNAUTLUUHBG-UHFFFAOYSA-N
NMR Offset 15.0036
NMR Spectrometer Frequency 250.134
Observed nucleus 1H
Origin 1H_CB_8313_2410
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: NMR/9251832; Labnumber: L-04,Polunin
Temperature 297 °C