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methyl 4-{[(1-benzyl-3-heptyl-5-oxo-2-thioxo-4-imidazolidinyl)acetyl]amino}benzoate
SpectraBase Compound ID GdrhKUmDpdv
InChI InChI=1S/C27H33N3O4S/c1-3-4-5-6-10-17-29-23(25(32)30(27(29)35)19-20-11-8-7-9-12-20)18-24(31)28-22-15-13-21(14-16-22)26(33)34-2/h7-9,11-16,23H,3-6,10,17-19H2,1-2H3,(H,28,31)
InChIKey QYWMZQCHCMNHOR-UHFFFAOYSA-N
Mol Weight 495.6 g/mol
Molecular Formula C27H33N3O4S
Exact Mass 495.219178 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3OgXxDXHN6i
Name methyl 4-{[(1-benzyl-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/C27H33N3O4S/c1-3-4-5-6-10-17-29-23(25(32)30(27(29)35)19-20-11-8-7-9-12-20)18-24(31)28-22-15-13-21(14-16-22)26(33)34-2/h7-9,11-16,23H,3-6,10,17-19H2,1-2H3,(H,28,31)
InChIKey QYWMZQCHCMNHOR-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_18788
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: D11701; Labnumber: MPOL-10595; SBI_ID: SBI-018791
Temperature 306 °C