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benzoic acid, 4-[2,5-dioxo-3-[(2-phenylethyl)[[(phenylmethyl)amino]carbonothioyl]amino]-1-pyrrolidinyl]-, ethyl ester
SpectraBase Compound ID GIWa2I6tHbI
InChI InChI=1S/C29H29N3O4S/c1-2-36-28(35)23-13-15-24(16-14-23)32-26(33)19-25(27(32)34)31(18-17-21-9-5-3-6-10-21)29(37)30-20-22-11-7-4-8-12-22/h3-16,25H,2,17-20H2,1H3,(H,30,37)
InChIKey VVWLMBQXQWWPHW-UHFFFAOYSA-N
Mol Weight 515.63 g/mol
Molecular Formula C29H29N3O4S
Exact Mass 515.187878 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8FmWtDaf3n9
Name benzoic acid, 4-[2,5-dioxo-3-[(2-phenylethyl)[[(phenylmethyl)amino]carbonothioyl]amino]-1-pyrrolidinyl]-, ethyl 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/C29H29N3O4S/c1-2-36-28(35)23-13-15-24(16-14-23)32-26(33)19-25(27(32)34)31(18-17-21-9-5-3-6-10-21)29(37)30-20-22-11-7-4-8-12-22/h3-16,25H,2,17-20H2,1H3,(H,30,37)
InChIKey VVWLMBQXQWWPHW-UHFFFAOYSA-N
NMR Offset 15.0036
NMR Spectrometer Frequency 250.134
Observed nucleus 1H
Origin 1H_CB_8313_2385
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/9251601; Labnumber: L-04,Polunin
Temperature 297 °C