Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C30H28BrN3O2/c1-2-36-30(35)29-16-19(24-17-32-26-9-5-3-7-22(24)26)15-28(34(29)21-13-11-20(31)12-14-21)25-18-33-27-10-6-4-8-23(25)27/h3-14,17-19,28-29,32-33H,2,15-16H2,1H3/t19-,28-,29-/m0/s1
SMILES	CCOC(=O)[C@@H]1C[C@H](C[C@H](N1c1ccc(cc1)Br)c1c[nH]c2c1cccc2)c1c[nH]c2c1cccc2
InChI Key	IEOGWYQIGYTIBP-GULPDURKSA-N
Molecular Formula	C30H28BrN3O2
Exact Mass	542.466 g/mol

Data and Resources

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Metadata Information

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• Molecule Data-Sources

Field	Value
DOI	10.14272/IEOGWYQIGYTIBP-GULPDURKSA-N/NMR/1H/acetone/400
License URL
Source	https://www.chemotion-repository.net/inchikey/IEOGWYQIGYTIBP-GULPDURKSA-N/NMR/1H/acetone/400
Version
Author	Sabilla Zhong
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T23:47:39.867794
MetadataModified	2024-09-07T13:07:40.372089
MetadataPublished	2014-05-27

Field	Value
Measurement Technique	1H nuclear magnetic resonance spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
73427461	PubChem
The data in this table is sourced from UniChem at EBI.