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29-(2-Iodoethoxy)-17,20,23-trioxa-1,14,33-triazatricyclo-[12.11.7.1(27,31)]-tritriaconta-27(33),28,30-triene-2,13-dione
SpectraBase Compound ID DT4oDDuJ6KY
InChI InChI=1S/C29H46IN3O6/c30-11-14-39-27-21-25-23-32-12-15-36-17-19-38-20-18-37-16-13-33(24-26(22-27)31-25)29(35)10-8-6-4-2-1-3-5-7-9-28(32)34/h21-22H,1-20,23-24H2
InChIKey MLQCOOOYCLSIHC-UHFFFAOYSA-N
Mol Weight 659.6 g/mol
Molecular Formula C29H46IN3O6
Exact Mass 659.243131 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B32xKL3dtcO
Name 29-(2-Iodoethoxy)-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 C29H46IN3O6
InChI InChI=1S/C29H46IN3O6/c30-11-14-39-27-21-25-23-32-12-15-36-17-19-38-20-18-37-16-13-33(24-26(22-27)31-25)29(35)10-8-6-4-2-1-3-5-7-9-28(32)34/h21-22H,1-20,23-24H2
InChIKey MLQCOOOYCLSIHC-UHFFFAOYSA-N
Literature Reference DOI 10.1002_(SICI)1521-3897(199904)341_3_222
Molecular Weight 659.606 g/mol
SMILES c1c(cc2nc1CN1CCOCCOCCOCCN(C2)C(CCCCCCCCCCC1=O)=O)OCCI
SPLASH splash10-0ab9-1310249000-efc5b71d3c958872a2ee
Source of Spectrum JF-341-224-1d
Wiley ID 1766662