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1,4,8,11-Tetraazacyclotetradecane-1,4,8,11-tetraacetic acid tetrahydrochloride hydrate

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

1,4,8,11-Tetraazacyclotetradecane-1,4,8,11-tetraacetic acid tetrahydrochloride hydrate
SpectraBase Compound ID 6HHFGwSHM0A
InChI InChI=1S/C18H32N4O8.4ClH.H2O/c23-15(24)11-19-3-1-4-20(12-16(25)26)8-10-22(14-18(29)30)6-2-5-21(9-7-19)13-17(27)28;;;;;/h1-14H2,(H,23,24)(H,25,26)(H,27,28)(H,29,30);4*1H;1H2
InChIKey UZTYHPCTDMORSU-UHFFFAOYSA-N
Mol Weight 590.29 g/mol
Molecular Formula C18H32Cl4N4O9
Exact Mass 588.092339 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 11WchCQ5MqY
Name 1,4,8,11-Tetraazacyclotetradecane-1,4,8,11-tetraacetic acid tetrahydrochloride hydrate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 400408
CAS Registry Number 339091-75-7
Copyright Copyright © 2021-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H32Cl4N4O9
InChI 1S/C18H32N4O8.4ClH.H2O/c23-15(24)11-19-3-1-4-20(12-16(25)26)8-10-22(14-18(29)30)6-2-5-21(9-7-19)13-17(27)28;;;;;/h1-14H2,(H,23,24)(H,25,26)(H,27,28)(H,29,30);4*1H;1H2
InChIKey UZTYHPCTDMORSU-UHFFFAOYSA-N
Observed nucleus 13C
Solvent D2O
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_13CNMR_008792