Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C22H20Br2/c1-13-11-21(23)15(3)9-19(13)17-5-7-18(8-6-17)20-10-16(4)22(24)12-14(20)2/h5-12H,1-4H3
SMILES	Cc1cc(Br)c(cc1c1ccc(cc1)c1cc(C)c(cc1C)Br)C
InChI Key	BVWZNESRMMDVAS-UHFFFAOYSA-N
Molecular Formula	C22H20Br2
Exact Mass	444.202 g/mol

Data and Resources

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Metadata Information

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• Molecule Data-Sources

Field	Value
DOI	10.14272/BVWZNESRMMDVAS-UHFFFAOYSA-N/NMR/1H/CDCl3/500
License URL
Source	https://www.chemotion-repository.net/inchikey/BVWZNESRMMDVAS-UHFFFAOYSA-N/NMR/1H/CDCl3/500
Version
Author	Sylvain Grosjean
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T22:43:05.015016
MetadataModified	2024-09-07T12:07:49.452321
MetadataPublished	2014-05-27

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

Data-Source Molecule ID	Data-Source
73427290	PubChem
The data in this table is sourced from UniChem at EBI.