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BCLMSZIQEFPXQH-UHFFFAOYSA-N

View entire compound with spectra: 1 NMR

BCLMSZIQEFPXQH-UHFFFAOYSA-N
SpectraBase Compound ID EaMEwTRV36m
InChI InChI=1S/C45H44N6/c1-7-21-37(22-8-1)44(38-23-9-2-10-24-38,39-25-11-3-12-26-39)46-34-19-20-36-51-43(48-49-50-51)33-35-47-45(40-27-13-4-14-28-40,41-29-15-5-16-30-41)42-31-17-6-18-32-42/h1-18,21-32,46-47H,19-20,33-36H2
InChIKey BCLMSZIQEFPXQH-UHFFFAOYSA-N
Mol Weight 668.9 g/mol
Molecular Formula C45H44N6
Exact Mass 668.362745 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID tHo7CZIrtI
Name BCLMSZIQEFPXQH-UHFFFAOYSA-N
Compound Number 21
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C45H44N6
InChI InChI=1S/C45H44N6/c1-7-21-37(22-8-1)44(38-23-9-2-10-24-38,39-25-11-3-12-26-39)46-34-19-20-36-51-43(48-49-50-51)33-35-47-45(40-27-13-4-14-28-40,41-29-15-5-16-30-41)42-31-17-6-18-32-42/h1-18,21-32,46-47H,19-20,33-36H2
InChIKey BCLMSZIQEFPXQH-UHFFFAOYSA-N
Literature Reference Author C.M.ATHANASSOPOULOS,T.GARNELIS,D.VAHLIOTIS,D.PAPAIOANNOU
Literature Reference Citation ORG.LETTERS,7,561(2005)
Literature Reference DOI 10.1021/ol0477069
Molecular Weight 668.885 g/mol
Sample ID 42133
Solvent CDCl3