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EDTA 3ME1ET
SpectraBase Compound ID 7l66uKe7UQg
InChI InChI=1S/C15H26N2O8/c1-5-25-15(21)11-17(10-14(20)24-4)7-6-16(8-12(18)22-2)9-13(19)23-3/h5-11H2,1-4H3
InChIKey OAUMSEXFTXRMAG-UHFFFAOYSA-N
Mol Weight 362.38 g/mol
Molecular Formula C15H26N2O8
Exact Mass 362.168916 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 85Jpmi4qIwG
Name EDTA 3ME1ET
Classification Chemical
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Exact Mass 362.168915797 u
Formula C15H26N2O8
InChI InChI=1S/C15H26N2O8/c1-5-25-15(21)11-17(10-14(20)24-4)7-6-16(8-12(18)22-2)9-13(19)23-3/h5-11H2,1-4H3
InChIKey OAUMSEXFTXRMAG-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 362.379 g/mol
Related CAS Registry Number(s) 6381-92-6
SMILES CCOC(CN(CC(OC)=O)CCN(CC(=O)OC)CC(OC)=O)=O
SPLASH splash10-0079-1911000000-022f0e25b190754087d2
Sample Comments The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database.
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Synonyms Ethylenediaminetetraacetic acid 3ME1ET
Technique GC/MS
Wiley ID MMPW6e_6452