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JRZCLBGRHHDFGZ-UHFFFAOYSA-N

View entire compound with spectra: 1 NMR

JRZCLBGRHHDFGZ-UHFFFAOYSA-N
SpectraBase Compound ID 1mKTkpH1XdJ
InChI InChI=1S/C16H19ClN4O4S/c1-4-25-9-14-18-10(2)15(17)16(20-14)21-26(23,24)13-7-5-12(6-8-13)19-11(3)22/h5-8H,4,9H2,1-3H3,(H,19,22)(H,18,20,21)
InChIKey JRZCLBGRHHDFGZ-UHFFFAOYSA-N
Mol Weight 398.87 g/mol
Molecular Formula C16H19ClN4O4S
Exact Mass 398.081554 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FNiOdB2DPKg
Name JRZCLBGRHHDFGZ-UHFFFAOYSA-N
Compound Number 2K
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H19ClN4O4S
InChI InChI=1S/C16H19ClN4O4S/c1-4-25-9-14-18-10(2)15(17)16(20-14)21-26(23,24)13-7-5-12(6-8-13)19-11(3)22/h5-8H,4,9H2,1-3H3,(H,19,22)(H,18,20,21)
InChIKey JRZCLBGRHHDFGZ-UHFFFAOYSA-N
Literature Reference Author E.GRUENDEMANN,H.J.NICLAS,F.ZEUNER
Literature Reference Citation J.PRAKT.CHEM.,329,391(1987)
Literature Reference DOI 10.1002/prac.19873290303
Molecular Weight 398.864 g/mol
Solvent DMSO-D6
Source File Reference UWED6858