Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Info

InChI	InChI=1S/C20H12Br2O2/c21-15-9-17(23)19(13-7-3-1-5-11(13)15)20-14-8-4-2-6-12(14)16(22)10-18(20)24/h1-10,23-24H
SMILES	Oc1cc(Br)c2c(c1c1c(O)cc(c3c1cccc3)Br)cccc2
InChI Key	UAOMNDAJRKOYII-UHFFFAOYSA-N
Exact Mass	444.116 g/mol

Data and Resources

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

  • More information
  • Go to resource

• 13c-nuclear-magneti...

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/UAOMNDAJRKOYII-UHFFFAOYSA-N/CHMO0000595.1
License URL
Source	https://www.chemotion-repository.net/inchikey/UAOMNDAJRKOYII-UHFFFAOYSA-N/CHMO0000595.1
Version
Author	Tobias Sengpiel
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T03:05:33.575005
MetadataModified	2024-09-23T09:22:20.338661
MetadataPublished	2024-02-23

Field	Value
Measurement Technique	13C nuclear magnetic resonance spectroscopy
Measurement Variables	Temperature : 300.0 K K Puls programme : zgpg30 Number of scans : 1024 Title : TSE-29_Ana_dry Date : 20230801 Start time : 0.44 h Instrument : spect Label : TSE-93 ID : 262748 Solvent : chloroform-D1 (CDCl3)

Data-Source Molecule ID	Data-Source
15522048	PubChem
SCHEMBL5357175	SureChEMBL
ZAMFUS	CCDC
J786.259H	Nikkaji
The data in this table is sourced from UniChem at EBI.