Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Info

InChI	InChI=1S/C16H14Br2/c17-15-9-11-1-2-12-4-6-14(16(18)10-12)8-7-13(15)5-3-11/h3-6,9-10H,1-2,7-8H2
SMILES	Brc1cc2CCc3ccc(CCc1cc2)c(c3)Br
InChI Key	YTVHCBMSDDDSSN-UHFFFAOYSA-N
Molecular Formula	C16H14Br2
Exact Mass	366.090 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/YTVHCBMSDDDSSN-UHFFFAOYSA-N/CHMO0000595.3
License URL
Source	https://www.chemotion-repository.net/inchikey/YTVHCBMSDDDSSN-UHFFFAOYSA-N/CHMO0000595.3
Version
Author	Henrik Tappert
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2025-02-25T11:55:04.906638
MetadataModified	2025-02-25T12:01:50.708069
MetadataPublished
Related Molecule

Field	Value
Measurement Technique	13C nuclear magnetic resonance spectroscopy
Measurement Variables	Temperature : 298.0 K K Puls programme : zgpg30 Number of scans : 1024 Title : Feb09-2024 Date : 20240210 Start time : 10.09 h Instrument : Avance NEO Label : HT-72 ID : 116304 Solvent : chloroform-D1 (CDCl3)

Data-Source Molecule ID	Data-Source
VIXHAL	CCDC
J1.879.185D	Nikkaji
20181412	NMRShiftDB
16051060	PubChem: Thomson Pharma
10992162	PubChem
The data in this table is sourced from UniChem at EBI.