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1,8-Bis(3-benzoyl-2-ethyl-isoureido)-3,6-dioxaoctane
SpectraBase Compound ID AKVdarlVJyI
InChI InChI=1S/C26H34N4O6/c1-3-35-25(29-23(31)21-11-7-5-8-12-21)27-15-17-33-19-20-34-18-16-28-26(36-4-2)30-24(32)22-13-9-6-10-14-22/h5-14H,3-4,15-20H2,1-2H3,(H,27,29,31)(H,28,30,32)
InChIKey DQEPJAFNDTXNLF-UHFFFAOYSA-N
Mol Weight 498.6 g/mol
Molecular Formula C26H34N4O6
Exact Mass 498.247835 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2FvIOdpWGrq
Name 1,8-Bis(3-benzoyl-2-ethyl-isoureido)-3,6-dioxaoctane
Alternate Name(s) Diethyl N,N''-((ethane-1,2-diylbis(oxy))bis(ethane-2,1-diyl))bis(N'-benzoylcarbamimidate)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H34N4O6
InChI InChI=1S/C26H34N4O6/c1-3-35-25(29-23(31)21-11-7-5-8-12-21)27-15-17-33-19-20-34-18-16-28-26(36-4-2)30-24(32)22-13-9-6-10-14-22/h5-14H,3-4,15-20H2,1-2H3,(H,27,29,31)(H,28,30,32)
InChIKey DQEPJAFNDTXNLF-UHFFFAOYSA-N
Literature Reference DOI 10.1002_1521-3749(200108)627_8_1877
Molecular Weight 498.580 g/mol
SMILES N(C(=NC(c1ccccc1)=O)OCC)CCOCCOCCNC(OCC)=NC(c1ccccc1)=O
SPLASH splash10-0a4i-1940000000-309e8334535637d42805
Source of Spectrum DZ-627-1880-1a
Wiley ID 1798370