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3,14-diphenyl-1,7,10,16,19,22-hexaoxa-4,13-diazacyclotetracosane-2,5,12,15-tetrone
SpectraBase Compound ID Fqd7369BZse
InChI InChI=1S/C28H34N2O10/c31-23-19-37-13-14-38-20-24(32)30-26(22-9-5-2-6-10-22)28(34)40-18-16-36-12-11-35-15-17-39-27(33)25(29-23)21-7-3-1-4-8-21/h1-10,25-26H,11-20H2,(H,29,31)(H,30,32)
InChIKey JOHUPUDHANRDMZ-UHFFFAOYSA-N
Mol Weight 558.6 g/mol
Molecular Formula C28H34N2O10
Exact Mass 558.221345 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K0gzhdci3bY
Name 3,14-diphenyl-1,7,10,16,19,22-hexaoxa-4,13-diazacyclotetracosane-2,5,12,15-tetrone
Alternate Name(s) 12,23-diphenyl-1,4,7,10,16,19-hexaoxa-13,22-diazacyclotetracosane-11,14,21,24-tetrone
CAS Registry Number 114421-07-7
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H34N2O10
InChI InChI=1S/C28H34N2O10/c31-23-19-37-13-14-38-20-24(32)30-26(22-9-5-2-6-10-22)28(34)40-18-16-36-12-11-35-15-17-39-27(33)25(29-23)21-7-3-1-4-8-21/h1-10,25-26H,11-20H2,(H,29,31)(H,30,32)
InChIKey JOHUPUDHANRDMZ-UHFFFAOYSA-N
Molecular Weight 558.584 g/mol
SMILES N1C(COCCOCC(NC(C(OCCOCCOCCOC(C1c1ccccc1)=O)=O)c1ccccc1)=O)=O
SPLASH splash10-066r-0800090000-3ce30604f1c6320cb6fe
Source of Spectrum J-53-2588-9
Wiley ID 1406557