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Cyclo-N,N'-[1,11-(3",6",9"-trioxaundecyl)-bis[indol-3-yl]-N-methylmaleimide
SpectraBase Compound ID IXUOPVN4193
InChI InChI=1S/C29H29N3O5/c1-30-28(33)26-22-18-31(24-8-4-2-6-20(22)24)10-12-35-14-16-37-17-15-36-13-11-32-19-23(27(26)29(30)34)21-7-3-5-9-25(21)32/h2-9,18-19H,10-17H2,1H3
InChIKey TVLPGPUFQRKPMZ-UHFFFAOYSA-N
Mol Weight 499.57 g/mol
Molecular Formula C29H29N3O5
Exact Mass 499.210721 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3dPbnbRxXrd
Name Cyclo-N,N'-[1,11-(3'',6'',9''-trioxaundecyl)-bis[indol-3-yl]-N-methylmaleimide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 499.210721041 u
Formula C29H29N3O5
InChI InChI=1S/C29H29N3O5/c1-30-28(33)26-22-18-31(24-8-4-2-6-20(22)24)10-12-35-14-16-37-17-15-36-13-11-32-19-23(27(26)29(30)34)21-7-3-5-9-25(21)32/h2-9,18-19H,10-17H2,1H3
InChIKey TVLPGPUFQRKPMZ-UHFFFAOYSA-N
Molecular Weight 499.567 g/mol
SMILES C12=C(C(=O)N(C2=O)C)C2=CN(CCOCCOCCOCCN3C=C1C1=C3C=CC=C1)C1=C2C=CC=C1