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29-Phenylethynyl-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 6loB44UNEWl
InChI InChI=1S/C35H47N3O5/c39-34-14-10-5-3-1-2-4-6-11-15-35(40)38-19-21-42-23-25-43-24-22-41-20-18-37(34)28-32-26-31(27-33(29-38)36-32)17-16-30-12-8-7-9-13-30/h7-9,12-13,26-27H,1-6,10-11,14-15,18-25,28-29H2
InChIKey JSSUUHNQBJFXFW-UHFFFAOYSA-N
Mol Weight 589.8 g/mol
Molecular Formula C35H47N3O5
Exact Mass 589.351572 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6DKRdG36SGe
Name 29-Phenylethynyl-1,14,33-triaza-17,20,23-trioxatricyclo[12.11.7.1(27,31)]tritriaconta-27(33),28,30-triene-2,13-dione
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Formula C35H47N3O5
InChI InChI=1S/C35H47N3O5/c39-34-14-10-5-3-1-2-4-6-11-15-35(40)38-19-21-42-23-25-43-24-22-41-20-18-37(34)28-32-26-31(27-33(29-38)36-32)17-16-30-12-8-7-9-13-30/h7-9,12-13,26-27H,1-6,10-11,14-15,18-25,28-29H2
InChIKey JSSUUHNQBJFXFW-UHFFFAOYSA-N
Molecular Weight 589.777 g/mol
SMILES C1(N2Cc3nc(CN(C(CCCCCCCCCC1)=O)CCOCCOCCOCC2)cc(c3)C#Cc1ccccc1)=O
SPLASH splash10-052r-0060090000-99db985542b05280a56e
Source of Spectrum U1-2002-3684-1
Synonyms 29-(phenylethynyl)-17,20,23-trioxa-1,14,33-triazatricyclo[12.11.7.1(27,31)]tritriaconta-27(33),28,30-triene-2,13-dione
Wiley ID 1523378