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benzoic acid, 4-[[[1-(4-chlorophenyl)-3-heptyl-5-oxo-2-thioxo-4-imidazolidinyl]acetyl]amino]-, methyl ester

View entire compound with spectra: 2 NMR

benzoic acid, 4-[[[1-(4-chlorophenyl)-3-heptyl-5-oxo-2-thioxo-4-imidazolidinyl]acetyl]amino]-, methyl ester
SpectraBase Compound ID F0xk9eVBEcK
InChI InChI=1S/C26H30ClN3O4S/c1-3-4-5-6-7-16-29-22(24(32)30(26(29)35)21-14-10-19(27)11-15-21)17-23(31)28-20-12-8-18(9-13-20)25(33)34-2/h8-15,22H,3-7,16-17H2,1-2H3,(H,28,31)
InChIKey NQWCRAJCBSASTG-UHFFFAOYSA-N
Mol Weight 516.06 g/mol
Molecular Formula C26H30ClN3O4S
Exact Mass 515.164555 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4uAbKNSnSPT
Name methyl 4-({[1-(4-chlorophenyl)-3-heptyl-5-oxo-2-thioxo-4-imidazolidinyl]acetyl}amino)benzoate
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/C26H30ClN3O4S/c1-3-4-5-6-7-16-29-22(24(32)30(26(29)35)21-14-10-19(27)11-15-21)17-23(31)28-20-12-8-18(9-13-20)25(33)34-2/h8-15,22H,3-7,16-17H2,1-2H3,(H,28,31)
InChIKey NQWCRAJCBSASTG-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_18784
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: D11695; Labnumber: MPOL-09915; SBI_ID: SBI-018787
Temperature 306 °C