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6,9,16,19,25,28.35,38-Octaoxa-51,54-diazanonacyclo-[22.14.12.4(40,49).0(5,39).0(20,50).0(29,34).0(46,53)]tetrapentaconta-1,3,5(39),10,12,14,20,22,24(50),29,31,33,40,42,44,46.48,51,53-nonadecaene
SpectraBase Compound ID 938DBOYRmhA
InChI InChI=1S/C44H36N2O8/c1-2-8-34-33(7-1)47-21-25-51-37-11-5-13-39-41(37)31-19-17-29-15-16-30-18-20-32(46-44(30)43(29)45-31)42-38(52-26-22-48-34)12-6-14-40(42)54-28-24-50-36-10-4-3-9-35(36)49-23-27-53-39/h1-20H,21-28H2
InChIKey XBAAJKSIWCBPSR-UHFFFAOYSA-N
Mol Weight 720.8 g/mol
Molecular Formula C44H36N2O8
Exact Mass 720.247166 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IY7M5Sv6wN0
Name 6,9,16,19,25,28.35,38-Octaoxa-51,54-diazanonacyclo-[22.14.12.4(40,49).0(5,39).0(20,50).0(29,34).0(46,53)]tetrapentaconta-1,3,5(39),10,12,14,20,22,24(50),29,31,33,40,42,44,46.48,51,53-nonadecaene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C44H36N2O8
InChI InChI=1S/C44H36N2O8/c1-2-8-34-33(7-1)47-21-25-51-37-11-5-13-39-41(37)31-19-17-29-15-16-30-18-20-32(46-44(30)43(29)45-31)42-38(52-26-22-48-34)12-6-14-40(42)54-28-24-50-36-10-4-3-9-35(36)49-23-27-53-39/h1-20H,21-28H2
InChIKey XBAAJKSIWCBPSR-UHFFFAOYSA-N
Molecular Weight 720.778 g/mol
SMILES c12cccc3OCCOc4c(cccc4)OCCOc4cccc(c4-c4ccc5c(c6c(ccc(-c13)n6)cc5)n4)OCCOc1ccccc1OCCO2
SPLASH splash10-00dj-0300530900-0a81763b706471544516
Source of Spectrum K-127-2303-1e
Wiley ID 1792331