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ethyl {[5-(3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ylsulfanyl)pentanoyl]amino}acetate
SpectraBase Compound ID LksFeqJzSLU
InChI InChI=1S/C13H18N6O3S/c1-2-22-10(21)7-14-9(20)5-3-4-6-23-13-11-12(15-8-16-13)18-19-17-11/h8H,2-7H2,1H3,(H,14,20)(H,15,16,17,18,19)
InChIKey GHWOMLMMKSDMTQ-UHFFFAOYSA-N
Mol Weight 338.39 g/mol
Molecular Formula C13H18N6O3S
Exact Mass 338.11611 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BeX33xnP4O6
Name ethyl {[5-(3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ylsulfanyl)pentanoyl]amino}acetate
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/C13H18N6O3S/c1-2-22-10(21)7-14-9(20)5-3-4-6-23-13-11-12(15-8-16-13)18-19-17-11/h8H,2-7H2,1H3,(H,14,20)(H,15,16,17,18,19)
InChIKey GHWOMLMMKSDMTQ-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_16687
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: 987/00004231; Labnumber: 987/00004231218851; VK_ID: VK-016692
Temperature 308 °C