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3,11-diphenyl-1,7,13,16,19,22-hexaoxa-4,10-diazacyclotetracosane-2,5,9,12-tetrone
SpectraBase Compound ID IpZIliV8kgJ
InChI InChI=1S/C28H34N2O10/c31-23-19-38-20-24(32)30-26(22-9-5-2-6-10-22)28(34)40-18-16-37-14-12-35-11-13-36-15-17-39-27(33)25(29-23)21-7-3-1-4-8-21/h1-10,25-26H,11-20H2,(H,29,31)(H,30,32)
InChIKey KVSRSZQFUYMCLK-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 KaMMjXLxror
Name 3,11-diphenyl-1,7,13,16,19,22-hexaoxa-4,10-diazacyclotetracosane-2,5,9,12-tetrone
Alternate Name(s) 15,23-diphenyl-1,4,7,10,13,19-hexaoxa-16,22-diazacyclotetracosane-14,17,21,24-tetrone
CAS Registry Number 114421-10-2
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H34N2O10
InChI InChI=1S/C28H34N2O10/c31-23-19-38-20-24(32)30-26(22-9-5-2-6-10-22)28(34)40-18-16-37-14-12-35-11-13-36-15-17-39-27(33)25(29-23)21-7-3-1-4-8-21/h1-10,25-26H,11-20H2,(H,29,31)(H,30,32)
InChIKey KVSRSZQFUYMCLK-UHFFFAOYSA-N
Molecular Weight 558.584 g/mol
SMILES N1C(COCC(NC(C(OCCOCCOCCOCCOC(C1c1ccccc1)=O)=O)c1ccccc1)=O)=O
SPLASH splash10-0a4i-0900020000-b2a2a46350e73a13ed1d
Source of Spectrum J-53-2587-8
Wiley ID 1406556