Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C36H39Br3/c1-22(2)34(37)28-13-7-25(8-14-28)31-19-32(26-9-15-29(16-10-26)35(38)23(3)4)21-33(20-31)27-11-17-30(18-12-27)36(39)24(5)6/h7-24,34-36H,1-6H3
SMILES	BrC(c1ccc(cc1)c1cc(cc(c1)c1ccc(cc1)C(C(C)C)Br)c1ccc(cc1)C(C(C)C)Br)C(C)C
InChI Key	AAFJWSUJJWIJEW-UHFFFAOYSA-N
Molecular Formula	C36H39Br3
Exact Mass	711.407 g/mol

Data and Resources

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Metadata Information

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• Molecule Data-Sources

Field	Value
DOI	10.14272/AAFJWSUJJWIJEW-UHFFFAOYSA-N/CHMO0000593
License URL
Source	https://www.chemotion-repository.net/inchikey/AAFJWSUJJWIJEW-UHFFFAOYSA-N/CHMO0000593
Version
Author	Isabelle Wessely
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T03:38:51.432854
MetadataModified	2024-09-07T18:36:59.538272
MetadataPublished	2020-08-26
Related Molecule

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

Data-Source Molecule ID	Data-Source
154573656	PubChem
The data in this table is sourced from UniChem at EBI.