Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C18H20BrN/c1-20(2)18-12-14-4-8-15-7-3-13(11-17(15)19)5-9-16(18)10-6-14/h3,6-7,10-12H,4-5,8-9H2,1-2H3
SMILES	CN(c1cc2ccc1CCc1ccc(CC2)c(c1)Br)C
InChI Key	ACSFTVPHLODKPF-UHFFFAOYSA-N
Molecular Formula	C18H20BrN
Exact Mass	330.262 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/ACSFTVPHLODKPF-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/ACSFTVPHLODKPF-UHFFFAOYSA-N/CHMO0000470
Version
Author	Yichuan Wang
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T08:04:00.131420
MetadataModified	2024-09-07T23:57:30.278459
MetadataPublished	2022-12-07

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
85266442	PubChem: Thomson Pharma
44245906	PubChem
The data in this table is sourced from UniChem at EBI.