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2-{[4,6-bis({2-[(cyanomethyl)amino]-2-oxoethyl}sulfanyl)-1,3,5-triazin-2-yl]sulfanyl}-N-(cyanomethyl)acetamide
SpectraBase Compound ID C8EdqLAY5YJ
InChI InChI=1S/C15H15N9O3S3/c16-1-4-19-10(25)7-28-13-22-14(29-8-11(26)20-5-2-17)24-15(23-13)30-9-12(27)21-6-3-18/h4-9H2,(H,19,25)(H,20,26)(H,21,27)
InChIKey ORAVYNGLQZCCBI-UHFFFAOYSA-N
Mol Weight 465.53 g/mol
Molecular Formula C15H15N9O3S3
Exact Mass 465.045999 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AhJfO3OUaRN
Name 2-{[4,6-bis({2-[(cyanomethyl)amino]-2-oxoethyl}sulfanyl)-1,3,5-triazin-2-yl]sulfanyl}-N-(cyanomethyl)acetamide
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/C15H15N9O3S3/c16-1-4-19-10(25)7-28-13-22-14(29-8-11(26)20-5-2-17)24-15(23-13)30-9-12(27)21-6-3-18/h4-9H2,(H,19,25)(H,20,26)(H,21,27)
InChIKey ORAVYNGLQZCCBI-UHFFFAOYSA-N
NMR Offset 14.3789
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_ASIOH_7000_1289
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: ZI/5119693; Labnumber: LP-20/51210; IOH_ID: IOH-001290
Temperature 318 °C