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5,14-Dimethyl-6,13-diacetyl-1,4,8,11-tetraazacyclotetradeca-4,6,12,14-tetraene Fe complex
SpectraBase Compound ID 4ss33FQBrJs
InChI InChI=1S/C16H24N4O2.Fe/c1-11-15(13(3)21)9-17-5-6-18-10-16(14(4)22)12(2)20-8-7-19-11;/h9-10H,5-8H2,1-4H3,(H2,17,18,19,20,21,22);/q;+2/p-2
InChIKey LGKKNXXFYXAIRA-UHFFFAOYSA-L
Mol Weight 358.22 g/mol
Molecular Formula C16H22FeN4O2
Exact Mass 358.109212 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A0CRN1Tq24t
Name 5,14-Dimethyl-6,13-diacetyl-1,4,8,11-tetraazacyclotetradeca-4,6,12,14-tetraene Fe complex
Alternate Name(s) 1-[(6E,12E)-13-acetyl-5,14-dimethyl-1,4-diaza-8,11-diazanidacyclotetradeca-4,6,12,14-tetraen-6-yl]ethanone;iron(2+) 1-[(6E,12E)-13-ethanoyl-5,14-dimethyl-1,4-diaza-8,11-diazanidacyclotetradeca-4,6,12,14-tetraen-6-yl]ethanone;iron(2+)
CAS Registry Number 97972-90-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22FeN4O2
InChI InChI=1S/C16H24N4O2.Fe/c1-11-15(13(3)21)9-17-5-6-18-10-16(14(4)22)12(2)20-8-7-19-11;/h9-10H,5-8H2,1-4H3,(H2,17,18,19,20,21,22);/q;+2/p-2
InChIKey LGKKNXXFYXAIRA-UHFFFAOYSA-L
Molecular Weight 358.223 g/mol
SMILES C1\N=C\(\C(=C/N2[Fe]N(\C=C/(\C(=N\C1)C)C(=O)C)CC2)C(C)=O)C
SPLASH splash10-0a4i-2309000000-5a1e743912e14731ded0
Source of Spectrum O-21-239-5
Wiley ID 1346830