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6-(Anthracen-9-ylmethyl)-1,.4,8,11-tetraazacyclotetradecane-5,17-dione

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6-(Anthracen-9-ylmethyl)-1,.4,8,11-tetraazacyclotetradecane-5,17-dione
SpectraBase Compound ID 6dZKkifwsN5
InChI InChI=1S/C25H30N4O2/c30-24-23(25(31)29-15-13-27-11-5-10-26-12-14-28-24)17-22-20-8-3-1-6-18(20)16-19-7-2-4-9-21(19)22/h1-4,6-9,16,23,26-27H,5,10-15,17H2,(H,28,30)(H,29,31)
InChIKey WMEKURVDALRYNP-UHFFFAOYSA-N
Mol Weight 418.54 g/mol
Molecular Formula C25H30N4O2
Exact Mass 418.236876 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5G36ZY9Xe9b
Name 6-(Anthracen-9-ylmethyl)-1,.4,8,11-tetraazacyclotetradecane-5,17-dione
Comments Computed using HOSE algorithm
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Exact Mass 418.236876220 u
Formula C25H30N4O2
InChI InChI=1S/C25H30N4O2/c30-24-23(25(31)29-15-13-27-11-5-10-26-12-14-28-24)17-22-20-8-3-1-6-18(20)16-19-7-2-4-9-21(19)22/h1-4,6-9,16,23,26-27H,5,10-15,17H2,(H,28,30)(H,29,31)
InChIKey WMEKURVDALRYNP-UHFFFAOYSA-N
Molecular Weight 418.541 g/mol
SMILES C1(CC2=C3C(C=CC=C3)=CC=3C2=CC=CC3)C(NCCNCCCNCCNC1=O)=O