New to the Repository? Check the Settings and Preparation guide. Starting your research? Review our How to provide data instructions. Learn more in How-To section, and feel free to reach out via or

Click to enable zooming

This information is based on the molecular structure shown on the left side. For a decoupled sample, please refer to its individual details.

Formula: C₄₈H₄₂N₂O₄

Canonical SMILES:
CC1(C)c2ccccc2N(c2c1cccc2)c1ccc2c(-c3cc(ccc3C3(C42OCCO4)OCCO3)N2c3ccccc3C(c3c2cccc3)(C)C)c1

InChI:
InChI=1S/C48H42N2O4/c1-45(2)37-13-5-9-17-41(37)49(42-18-10-6-14-38(42)45)31-21-23-35-33(29-31)34-30-32(22-24-36(34)48(53-27-28-54-48)47(35)51-25-26-52-47)50-43-19-11-7-15-39(43)46(3,4)40-16-8-12-20-44(40)50/h5-24,29-30H,25-28H2,1-4H3

InChIKey:
CVZWWCQBQXVYQE-UHFFFAOYSA-N

Exact Mass:

Crosslinks:

Published on 2024-11-25

heteronuclear single quantum coherence (HSQC)

Author: Jason Hofmann¹

1. Institute of Organic Chemistry, Karlsruher Institute of Technology, Germany

Analysis DOI:

Analysis ID:

Content:

Datasets

Formula: C48H42N2O4

Canonical SMILES: CC1(C)c2ccccc2N(c2c1cccc2)c1ccc2c(-c3cc(ccc3C3(C42OCCO4)OCCO3)N2c3ccccc3C(c3c2cccc3)(C)C)c1

InChI: InChI=1S/C48H42N2O4/c1-45(2)37-13-5-9-17-41(37)49(42-18-10-6-14-38(42)45)31-21-23-35-33(29-31)34-30-32(22-24-36(34)48(53-27-28-54-48)47(35)51-25-26-52-47)50-43-19-11-7-15-39(43)46(3,4)40-16-8-12-20-44(40)50/h5-24,29-30H,25-28H2,1-4H3

InChIKey: CVZWWCQBQXVYQE-UHFFFAOYSA-N