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3,11-diphenyl-1,7,13,16,19-pentaoxa-4,10-diazacycloheneicosane-2,5,9,12-tetrone
SpectraBase Compound ID CIWVkTIJQZG
InChI InChI=1S/C26H30N2O9/c29-21-17-35-18-22(30)28-24(20-9-5-2-6-10-20)26(32)37-16-14-34-12-11-33-13-15-36-25(31)23(27-21)19-7-3-1-4-8-19/h1-10,23-24H,11-18H2,(H,27,29)(H,28,30)
InChIKey UYSPPQUETQRNIN-UHFFFAOYSA-N
Mol Weight 514.53 g/mol
Molecular Formula C26H30N2O9
Exact Mass 514.195131 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 22ZRgVCdVa8
Name 3,11-diphenyl-1,7,13,16,19-pentaoxa-4,10-diazacycloheneicosane-2,5,9,12-tetrone
CAS Registry Number 114421-09-9
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H30N2O9
InChI InChI=1S/C26H30N2O9/c29-21-17-35-18-22(30)28-24(20-9-5-2-6-10-20)26(32)37-16-14-34-12-11-33-13-15-36-25(31)23(27-21)19-7-3-1-4-8-19/h1-10,23-24H,11-18H2,(H,27,29)(H,28,30)
InChIKey UYSPPQUETQRNIN-UHFFFAOYSA-N
Molecular Weight 514.531 g/mol
SMILES N1C(COCC(NC(C(OCCOCCOCCOC(C1c1ccccc1)=O)=O)c1ccccc1)=O)=O
SPLASH splash10-0a4i-0900020000-767adccdf8794588fef4
Source of Spectrum J-53-2587-7
Synonyms 12,20-diphenyl-1,4,7,10,16-pentaoxa-13,19-diazacyclohenicosane-11,14,18,21-tetrone
Wiley ID 1401084