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Cyclen sulfate (1:2)

View entire compound with spectra: 2 NMR, and 1 FTIR

Cyclen sulfate (1:2)
SpectraBase Compound ID Bv2Ep4yvEaD
InChI InChI=1S/C8H20N4.H2O4S/c1-2-10-5-6-12-8-7-11-4-3-9-1;1-5(2,3)4/h9-12H,1-8H2;(H2,1,2,3,4)
InChIKey VKWLPPSMIINPDP-UHFFFAOYSA-N
Mol Weight 270.35 g/mol
Molecular Formula C8H22N4O4S
Exact Mass 270.136176 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3bVzovzPMqF
Name Cyclen sulfate (1:2)
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 402621
CAS Registry Number 112193-77-8
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H22N4O4S
InChI InChI=1S/C8H20N4.H2O4S/c1-2-10-5-6-12-8-7-11-4-3-9-1;1-5(2,3)4/h9-12H,1-8H2;(H2,1,2,3,4)
InChIKey VKWLPPSMIINPDP-UHFFFAOYSA-N
Observed nucleus 13C
Purity 95%
Solvent D2O & NaOD
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms 1,4,7,10-Tetraazacyclododecane sulfate
Wiley ID SIAL_13CNMR_008826