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1(4),6(4)-Dihydroxy-7,16-di(methoxycarbonylmethyl)-2,5,10,13-tetraoxa-7,16-diaza-1(1,2),6(1,2)-dibenzenacyclohexadecaphane-1(5),6(5)-dicarbaldehyde
SpectraBase Compound ID 10nfMtO7sCC
InChI InChI=1S/C28H34N2O12/c1-37-27(35)15-29-3-5-39-7-8-40-6-4-30(16-28(36)38-2)22-14-24(34)20(18-32)12-26(22)42-10-9-41-25-11-19(17-31)23(33)13-21(25)29/h11-14,17-18,33-34H,3-10,15-16H2,1-2H3
InChIKey OBZMYZWSEAKQIK-UHFFFAOYSA-N
Mol Weight 590.6 g/mol
Molecular Formula C28H34N2O12
Exact Mass 590.211175 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LV4aRt4zUoe
Name 1(4),6(4)-Dihydroxy-7,16-di(methoxycarbonylmethyl)-2,5,10,13-tetraoxa-7,16-diaza-1(1,2),6(1,2)-dibenzenacyclohexadecaphane-1(5),6(5)-dicarbaldehyde
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Formula C28H34N2O12
InChI InChI=1S/C28H34N2O12/c1-37-27(35)15-29-3-5-39-7-8-40-6-4-30(16-28(36)38-2)22-14-24(34)20(18-32)12-26(22)42-10-9-41-25-11-19(17-31)23(33)13-21(25)29/h11-14,17-18,33-34H,3-10,15-16H2,1-2H3
InChIKey OBZMYZWSEAKQIK-UHFFFAOYSA-N
Molecular Weight 590.582 g/mol
SMILES Oc1cc2N(CCOCCOCCN(c3c(cc(c(c3)O)C=O)OCCOc2cc1C=O)CC(=O)OC)CC(=O)OC
SPLASH splash10-0036-3000090000-fe23f3ef453e8f6e050f
Source of Spectrum KC-0-1621-13
Synonyms Methyl[2,17-diformyl-3,16-dihydroxy-14-(2-methoxy-2-oxoethyl)-6,7,9,10,12,13,20,21-octahydro-5H,14H-dibenzo[e,q][1,4,10,13,7,16]tetraoxadiazacyclooctadecin-5-yl]acetate
Wiley ID 821464