Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Information

InChI	InChI=1S/C16H15BrO/c17-15-9-14-8-6-12-3-1-11(2-4-12)5-7-13(15)10-16(14)18/h1-4,9-10,18H,5-8H2
SMILES	Oc1cc2CCc3ccc(CCc1cc2Br)cc3
InChI Key	CIFGALRTIQKTNB-UHFFFAOYSA-N
Exact Mass	303.194 g/mol

Data and Resources

• 13C nuclear magnetic resonance spectroscopy (13C NMR)HTML
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• chmo0000595

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/CIFGALRTIQKTNB-UHFFFAOYSA-N/CHMO0000595.1
License URL
Source	https://www.chemotion-repository.net/inchikey/CIFGALRTIQKTNB-UHFFFAOYSA-N/CHMO0000595.1
Version
Author	Stefan Bräse
Maintainer	Chemotion Repository
Language	english
MetadataPublished	2025-10-27
Related Molecule

Field	Value
Measurement Technique	CHMO:0000595
Measurement Variables	Date : 2025-08-31 Start time : 21:50:15 UTC Creator : Adrian Daniel Hund Label : ADH-85 ID : 382974 Solvent : CDCl3 Temperature : 298.0004 K K Puls programme : zgpg30 Number of scans : 1024 Instrument : Avance NEO Name : TopSpin

Data-Source Molecule ID	Data-Source
6421959	PubChem
The data in this table is sourced from UniChem at EBI.