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1,4,7-TRIAZACYCLONONANE-4,7-BIS-(TERT.-BUTYLOXYCARBONYLMETHYL)-1-[METHYLENE-(2-CARBOXYETHYL)-PHOSPHINIC-ACID]

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1,4,7-TRIAZACYCLONONANE-4,7-BIS-(TERT.-BUTYLOXYCARBONYLMETHYL)-1-[METHYLENE-(2-CARBOXYETHYL)-PHOSPHINIC-ACID]
SpectraBase Compound ID 9vhTNolVuvV
InChI InChI=1S/C22H42N3O8P/c1-21(2,3)32-19(28)15-23-8-9-24(16-20(29)33-22(4,5)6)11-13-25(12-10-23)17-34(30,31)14-7-18(26)27/h7-17H2,1-6H3,(H,26,27)(H,30,31)
InChIKey LQNZZHHGONFKGC-UHFFFAOYSA-N
Mol Weight 507.6 g/mol
Molecular Formula C22H42N3O8P
Exact Mass 507.270952 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6JNpOluGKEP
Name 1,4,7-TRIAZACYCLONONANE-4,7-BIS-(TERT.-BUTYLOXYCARBONYLMETHYL)-1-[METHYLENE-(2-CARBOXYETHYL)-PHOSPHINIC-ACID]
Compound Number 20
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H41N3O8P
InChI InChI=1S/C22H42N3O8P/c1-21(2,3)32-19(28)15-23-8-9-24(16-20(29)33-22(4,5)6)11-13-25(12-10-23)17-34(30,31)14-7-18(26)27/h7-17H2,1-6H3,(H,26,27)(H,30,31)
InChIKey LQNZZHHGONFKGC-UHFFFAOYSA-N
Literature Reference Author G.MATE,J.SIMECEK,M.PNIOK,I.KERTESZ,J.NOTNI,H.J.WESTER,L.GALU SKA,P.HERMANN
Literature Reference Citation MOLECULES,20,13112(2015)
Literature Reference DOI 10.3390/molecules200713112
Molecular Weight 506.557 g/mol
Solvent D2O
Source File Reference UWPA4088