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carbamimidothioic acid, N-(2-phenylethyl)-N'-[3-(trifluoromethyl)phenyl]-, 1-[4-(hexyloxy)phenyl]-2,5-dioxo-3-pyrrolidinyl ester

View entire compound with spectra: 1 NMR

carbamimidothioic acid, N-(2-phenylethyl)-N'-[3-(trifluoromethyl)phenyl]-, 1-[4-(hexyloxy)phenyl]-2,5-dioxo-3-pyrrolidinyl ester
SpectraBase Compound ID 6Ngr9kK8XkK
InChI InChI=1S/C32H34F3N3O3S/c1-2-3-4-8-20-41-27-16-14-26(15-17-27)38-29(39)22-28(30(38)40)42-31(36-19-18-23-10-6-5-7-11-23)37-25-13-9-12-24(21-25)32(33,34)35/h5-7,9-17,21,28H,2-4,8,18-20,22H2,1H3,(H,36,37)
InChIKey ICBSAJYGLKXMPW-UHFFFAOYSA-N
Mol Weight 597.7 g/mol
Molecular Formula C32H34F3N3O3S
Exact Mass 597.227298 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID A4133Bj3U3b
Name carbamimidothioic acid, N-(2-phenylethyl)-N'-[3-(trifluoromethyl)phenyl]-, 1-[4-(hexyloxy)phenyl]-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 597.227297627 u
Formula C32H34F3N3O3S
InChI InChI=1S/C32H34F3N3O3S/c1-2-3-4-8-20-41-27-16-14-26(15-17-27)38-29(39)22-28(30(38)40)42-31(36-19-18-23-10-6-5-7-11-23)37-25-13-9-12-24(21-25)32(33,34)35/h5-7,9-17,21,28H,2-4,8,18-20,22H2,1H3,(H,36,37)
InChIKey ICBSAJYGLKXMPW-UHFFFAOYSA-N
Molecular Weight 597.697 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_1390
Solvent DMSO-d6
Source Vendor ID: ZI/8172904; Lab Info: PE; Lab Number: PE-0005170