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1,6-bis(5-Amino-1,3-dioxo-1,3-dihydro-isoindol-2-yl)-hexane
SpectraBase Compound ID BmtJ5DSuSIw
InChI InChI=1S/C22H22N4O4/c23-13-5-7-15-17(11-13)21(29)25(19(15)27)9-3-1-2-4-10-26-20(28)16-8-6-14(24)12-18(16)22(26)30/h5-8,11-12H,1-4,9-10,23-24H2
InChIKey YZBYLZSMMAEFSN-UHFFFAOYSA-N
Mol Weight 406.44 g/mol
Molecular Formula C22H22N4O4
Exact Mass 406.164105 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BZPGt2lbIPo
Name 1,6-bis(5-Amino-1,3-dioxo-1,3-dihydro-isoindol-2-yl)-hexane
Comments Computed using HOSE algorithm
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Exact Mass 406.164105200 u
Formula C22H22N4O4
InChI InChI=1S/C22H22N4O4/c23-13-5-7-15-17(11-13)21(29)25(19(15)27)9-3-1-2-4-10-26-20(28)16-8-6-14(24)12-18(16)22(26)30/h5-8,11-12H,1-4,9-10,23-24H2
InChIKey YZBYLZSMMAEFSN-UHFFFAOYSA-N
Molecular Weight 406.442 g/mol
SMILES C1(N(C(C2=CC=C(C=C12)N)=O)CCCCCCN1C(C2=CC(N)=CC=C2C1=O)=O)=O