Aza-trioxocalix[2]arene[2](chloro)triazine

SpectraBase Compound ID	5LyDzuFLOzs
InChI	InChI=1S/C18H9Cl2N7O3/c19-13-22-15-21-9-3-1-4-10(7-9)28-17-24-14(20)25-18(27-17)30-12-6-2-5-11(8-12)29-16(23-13)26-15/h1-8H,(H,21,22,23,26)
InChIKey	DYDUOLURZMUYOE-UHFFFAOYSA-N Google Search
Mol Weight	442.22 g/mol
Molecular Formula	C18H9Cl2N7O3
Exact Mass	441.014393 g/mol

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SpectraBase Spectrum ID	H9c79YXYmnK
Name	Aza-trioxocalix[2]arene[2](chloro)triazine
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C18H9Cl2N7O3
InChI	InChI=1S/C18H9Cl2N7O3/c19-13-22-15-21-9-3-1-4-10(7-9)28-17-24-14(20)25-18(27-17)30-12-6-2-5-11(8-12)29-16(23-13)26-15/h1-8H,(H,21,22,23,26)
InChIKey	DYDUOLURZMUYOE-UHFFFAOYSA-N
Molecular Weight	442.222 g/mol
SMILES	N1c2cc(Oc3nc(nc(Oc4cc(Oc5nc1nc(n5)Cl)ccc4)n3)Cl)ccc2
SPLASH	splash10-052f-0000900000-20202b23949703abacd0
Source of Spectrum	C-126-15414-8
Wiley ID	1701393