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20-[bis-O-(2',6'-Pyridino)3-1(3),5-1-coronand]-14,18-dione - bis(Ethyleneglycol Ketal)
SpectraBase Compound ID LGNvJx5uIkS
InChI InChI=1S/C28H31N3O6/c1-5-21-17-32-19-23-7-2-9-25(30-23)27(34-13-14-35-27)11-4-12-28(36-15-16-37-28)26-10-3-8-24(31-26)20-33-18-22(6-1)29-21/h1-3,5-10H,4,11-20H2
InChIKey BQQBEHZYDUNWKJ-UHFFFAOYSA-N
Mol Weight 505.57 g/mol
Molecular Formula C28H31N3O6
Exact Mass 505.221286 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3qysVayxDVA
Name 20-[bis-O-(2',6'-Pyridino)3-1(3),5-1-coronand]-14,18-dione - bis(Ethyleneglycol Ketal)
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Formula C28H31N3O6
InChI InChI=1S/C28H31N3O6/c1-5-21-17-32-19-23-7-2-9-25(30-23)27(34-13-14-35-27)11-4-12-28(36-15-16-37-28)26-10-3-8-24(31-26)20-33-18-22(6-1)29-21/h1-3,5-10H,4,11-20H2
InChIKey BQQBEHZYDUNWKJ-UHFFFAOYSA-N
Molecular Weight 505.571 g/mol
SMILES C12(c3nc(COCc4nc(COCc5nc(C6(CCC2)OCCO6)ccc5)ccc4)ccc3)OCCO1
SPLASH splash10-0a4j-6900000000-8d8c9e523e3a0bb1eacb
Source of Spectrum F3-27-92-10
Wiley ID 1565449