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methyl 2-{[({5-[(3-phenylpropanoyl)amino]-1,3,4-thiadiazol-2-yl}sulfanyl)acetyl]amino}benzoate
SpectraBase Compound ID L0yQJppo2NU
InChI InChI=1S/C21H20N4O4S2/c1-29-19(28)15-9-5-6-10-16(15)22-18(27)13-30-21-25-24-20(31-21)23-17(26)12-11-14-7-3-2-4-8-14/h2-10H,11-13H2,1H3,(H,22,27)(H,23,24,26)
InChIKey BLEIQENZVNSWMV-UHFFFAOYSA-N
Mol Weight 456.54 g/mol
Molecular Formula C21H20N4O4S2
Exact Mass 456.092597 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EwtjYZBnFwh
Name methyl 2-{[({5-[(3-phenylpropanoyl)amino]-1,3,4-thiadiazol-2-yl}sulfanyl)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/C21H20N4O4S2/c1-29-19(28)15-9-5-6-10-16(15)22-18(27)13-30-21-25-24-20(31-21)23-17(26)12-11-14-7-3-2-4-8-14/h2-10H,11-13H2,1H3,(H,22,27)(H,23,24,26)
InChIKey BLEIQENZVNSWMV-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_9418
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: D46415; Labnumber: SPKOL-4241; SBI_ID: SBI-009421
Temperature 318 °C