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DIACID_SODIUM_SALT;2,2'-(5-((1-H-1,2,4-TRIAZOL-1-YL)-METHYL)-1,3-PHENYLENE)-BIS-(2-METHYLPROPANOIC_ACID)_SODIUM_SALT

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DIACID_SODIUM_SALT;2,2'-(5-((1-H-1,2,4-TRIAZOL-1-YL)-METHYL)-1,3-PHENYLENE)-BIS-(2-METHYLPROPANOIC_ACID)_SODIUM_SALT
SpectraBase Compound ID FmTIcSoPlmM
InChI InChI=1S/C17H21N3O4.2Na/c1-16(2,14(21)22)12-5-11(8-20-10-18-9-19-20)6-13(7-12)17(3,4)15(23)24;;/h5-7,9-10H,8H2,1-4H3,(H,21,22)(H,23,24);;/q;2*+1/p-2
InChIKey ISGSPRYQZPPTHL-UHFFFAOYSA-L
Mol Weight 375.33553856 g/mol
Molecular Formula C17H19N3Na2O4
Exact Mass 375.117095 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7ZZ4coHlimY
Name DIACID_SODIUM_SALT;2,2'-(5-((1-H-1,2,4-TRIAZOL-1-YL)-METHYL)-1,3-PHENYLENE)-BIS-(2-METHYLPROPANOIC_ACID)_SODIUM_SALT
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H19N3Na2O4
InChI InChI=1S/C17H21N3O4.2Na/c1-16(2,14(21)22)12-5-11(8-20-10-18-9-19-20)6-13(7-12)17(3,4)15(23)24;;/h5-7,9-10H,8H2,1-4H3,(H,21,22)(H,23,24);;/q;2*+1/p-2
InChIKey ISGSPRYQZPPTHL-UHFFFAOYSA-L
Literature Reference Author C.SITARAM,R.RUPAKULA,B.N.REDDY
Literature Reference Citation J.PHARM.BIOM.ANAL.,56,962(2011)
Literature Reference DOI 10.1016/j.jpba.2011.08.022
Molecular Weight 375.335 g/mol
Solvent DMSO-D6
Source File Reference UWMZ44156