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1,8-Bis(3-benzoyl-2-ethyl-isoureido)-octane
SpectraBase Compound ID IdT2PGAXfjr
InChI InChI=1S/C28H38N4O4/c1-3-35-27(31-25(33)23-17-11-9-12-18-23)29-21-15-7-5-6-8-16-22-30-28(36-4-2)32-26(34)24-19-13-10-14-20-24/h9-14,17-20H,3-8,15-16,21-22H2,1-2H3,(H,29,31,33)(H,30,32,34)
InChIKey CWRFAELGWJUGMH-UHFFFAOYSA-N
Mol Weight 494.6 g/mol
Molecular Formula C28H38N4O4
Exact Mass 494.289306 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8ExDlIorO0l
Name 1,8-Bis(3-benzoyl-2-ethyl-isoureido)-octane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H38N4O4
InChI InChI=1S/C28H38N4O4/c1-3-35-27(31-25(33)23-17-11-9-12-18-23)29-21-15-7-5-6-8-16-22-30-28(36-4-2)32-26(34)24-19-13-10-14-20-24/h9-14,17-20H,3-8,15-16,21-22H2,1-2H3,(H,29,31,33)(H,30,32,34)
InChIKey CWRFAELGWJUGMH-UHFFFAOYSA-N
Literature Reference DOI 10.1002_1521-3749(200108)627_8_1877
Molecular Weight 494.636 g/mol
SMILES N(C(=NC(c1ccccc1)=O)OCC)CCCCCCCCNC(OCC)=NC(c1ccccc1)=O
SPLASH splash10-0a4i-1922300000-16205462137e2da90bcc
Source of Spectrum DZ-627-1880-1c
Synonyms Diethyl N,N''-(octane-1,8-diyl)bis(N'-benzoylcarbamimidate)
Wiley ID 1798372