Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C26H30BrN/c1-25(2,3)19-7-13-22(14-8-19)28(24-17-11-21(27)12-18-24)23-15-9-20(10-16-23)26(4,5)6/h7-18H,1-6H3
SMILES	Brc1ccc(cc1)N(c1ccc(cc1)C(C)(C)C)c1ccc(cc1)C(C)(C)C
InChI Key	NPGGLZWVRNBLFX-UHFFFAOYSA-N
Molecular Formula	C26H30BrN
Exact Mass	436.427 g/mol

Data and Resources

• mass spectrometry (MS)HTML
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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/NPGGLZWVRNBLFX-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/NPGGLZWVRNBLFX-UHFFFAOYSA-N/CHMO0000470
Version
Author	Steffen Otterbach
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T01:54:24.644685
MetadataModified	2024-09-08T01:54:24.644691
MetadataPublished	2023-11-13

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
59793446	PubChem
J3.195.761C	Nikkaji
SCHEMBL9956810	SureChEMBL
The data in this table is sourced from UniChem at EBI.