Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C20H23Br2N/c1-19(2,3)11-7-13-14-8-12(20(4,5)6)10-16(22)18(14)23-17(13)15(21)9-11/h7-10,23H,1-6H3
SMILES	Brc1cc(cc2c1[nH]c1c2cc(cc1Br)C(C)(C)C)C(C)(C)C
InChI Key	NTUCWBPMVKOIDS-UHFFFAOYSA-N
Molecular Formula	C20H23Br2N
Exact Mass	437.211 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/NTUCWBPMVKOIDS-UHFFFAOYSA-N/CHMO0000470.1
License URL
Source	https://www.chemotion-repository.net/inchikey/NTUCWBPMVKOIDS-UHFFFAOYSA-N/CHMO0000470.1
Version
Author	Fabian Schönle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2025-01-29T10:41:02.452521
MetadataModified	2025-01-29T16:33:27.804049
MetadataPublished	2024-11-18

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
J2.643.567F	Nikkaji
SCHEMBL12657286	SureChEMBL
12075243	PubChem
CB52648799	ChemicalBook
The data in this table is sourced from UniChem at EBI.