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29-Bromo-1,14,33-triaza-17,20,23-trioxatricyclo[12.11.7.1(27,31)]tritriaconta-27(33),28,30-triene-2,13-dione
SpectraBase Compound ID JbrYUPuyorN
InChI InChI=1S/C27H42BrN3O5/c28-23-19-24-21-30-11-13-34-15-17-36-18-16-35-14-12-31(22-25(20-23)29-24)27(33)10-8-6-4-2-1-3-5-7-9-26(30)32/h19-20H,1-18,21-22H2
InChIKey MFXKNJVOTFVLDE-UHFFFAOYSA-N
Mol Weight 568.6 g/mol
Molecular Formula C27H42BrN3O5
Exact Mass 567.230784 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IVws6eBEjAD
Name 29-Bromo-1,14,33-triaza-17,20,23-trioxatricyclo[12.11.7.1(27,31)]tritriaconta-27(33),28,30-triene-2,13-dione
Alternate Name(s) 29-bromo-17,20,23-trioxa-1,14,33-triazatricyclo[12.11.7.1(27,31)]tritriaconta-27(33),28,30-triene-2,13-dione
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Formula C27H42BrN3O5
InChI InChI=1S/C27H42BrN3O5/c28-23-19-24-21-30-11-13-34-15-17-36-18-16-35-14-12-31(22-25(20-23)29-24)27(33)10-8-6-4-2-1-3-5-7-9-26(30)32/h19-20H,1-18,21-22H2
InChIKey MFXKNJVOTFVLDE-UHFFFAOYSA-N
Molecular Weight 568.553 g/mol
SMILES C1(N2CCOCCOCCOCCN(C(CCCCCCCCCC1)=O)Cc1cc(cc(C2)n1)Br)=O
SPLASH splash10-014i-0110390000-b7f19023672c86ad3976
Source of Spectrum U1-2002-3683-1
Wiley ID 1523381