Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Info

InChI	InChI=1S/C9H9BrO2/c1-12-8-4-2-7(3-5-8)9(11)6-10/h2-5H,6H2,1H3
SMILES	BrCC(=O)c1ccc(cc1)OC
InChI Key	XQJAHBHCLXUGEP-UHFFFAOYSA-N
Exact Mass	229.071 g/mol

Data and Resources

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Metadata Information

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• Measurement

Field	Value
DOI	10.14272/XQJAHBHCLXUGEP-UHFFFAOYSA-N/CHMO0000595
License URL
Source	https://www.chemotion-repository.net/inchikey/XQJAHBHCLXUGEP-UHFFFAOYSA-N/CHMO0000595
Version
Author	Simone Gräßle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T04:30:34.041989
MetadataModified	2024-09-23T09:26:21.026600
MetadataPublished	2024-08-15

Field	Value
Measurement Technique	13C nuclear magnetic resonance spectroscopy
Measurement Variables	Temperature : 300.0 K K Puls programme : zgpg30 Number of scans : 1024 Title : SG-V4099 (15-23) Date : 20240201 Start time : 7.18 h Instrument : spect Label : SG-3507 ID : 292873 Solvent : chloroform-D1 (CDCl3)