NO2AP;1,4,7-TRIAZACYCLONONANE-4,7-BIS-(CARBOXYMETHYL)-1-[METHYLENE-(2-CARBOXYETHYL)-PHOSPHINIC-ACID]

SpectraBase Compound ID	2ekS7y58yu7
InChI	InChI=1S/C16H25F3N3O9P/c17-16(18,19)15(29)31-32(30,8-1-12(23)24)11-22-6-4-20(9-13(25)26)2-3-21(5-7-22)10-14(27)28/h1-11H2,(H,23,24)(H,25,26)(H,27,28)
InChIKey	BHUQQIZAWTTYKP-UHFFFAOYSA-N Google Search
Mol Weight	491.36 g/mol
Molecular Formula	C16H25F3N3O9P
Exact Mass	491.128051 g/mol

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SpectraBase Spectrum ID	2UQQL3ogF1F
Name	NO2AP;1,4,7-TRIAZACYCLONONANE-4,7-BIS-(CARBOXYMETHYL)-1-[METHYLENE-(2-CARBOXYETHYL)-PHOSPHINIC-ACID]
Copyright	Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula	C16H25F3N3O9P
InChI	InChI=1S/C16H25F3N3O9P/c17-16(18,19)15(29)31-32(30,8-1-12(23)24)11-22-6-4-20(9-13(25)26)2-3-21(5-7-22)10-14(27)28/h1-11H2,(H,23,24)(H,25,26)(H,27,28)
InChIKey	BHUQQIZAWTTYKP-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	491.358 g/mol
Solvent	D2O
Source File Reference	UWPA4089