Dataset

1H--1H correlation spectroscopy (1H-1H COSY)

Chemical Information

InChI	InChI=1S/C16H15BrO/c17-15-13-7-5-11-1-3-12(4-2-11)6-8-14(10-9-13)16(15)18/h1-4,9-10,18H,5-8H2
SMILES	Brc1c2CCc3ccc(CCc(c1O)cc2)cc3
InChI Key	XTTPBMXGIIKYTJ-UHFFFAOYSA-N
Exact Mass	303.194 g/mol

Data and Resources

• 1H--1H correlation spectroscopy (1H-1H COSY)HTML
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• chmo0001150

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/XTTPBMXGIIKYTJ-UHFFFAOYSA-N/CHMO0001150
License URL
Source	https://www.chemotion-repository.net/inchikey/XTTPBMXGIIKYTJ-UHFFFAOYSA-N/CHMO0001150
Version
Author	Stefan Bräse
Maintainer	Chemotion Repository
Language	english
MetadataPublished	2025-10-27
Related Molecule

Field	Value
Measurement Technique	CHMO:0001150
Measurement Variables	date : 2025-10-12 starting time : 17:19:02 UTC creator : Adrian Daniel Hund label : ADH-86 id : 382975 Solvent : CDCl3 temperature : 297.9996 K PULPROG : cosygpppqf number of scans : 1 scans instrument : Avance NEO Name : TopSpin

Data-Source Molecule ID	Data-Source
6421972	PubChem
J3.301.875D	Nikkaji
The data in this table is sourced from UniChem at EBI.