Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Info

InChI	InChI=1S/C11H13BrO3/c1-4-15-11(13)8-5-7(2)10(12)9(6-8)14-3/h5-6H,4H2,1-3H3
SMILES	CCOC(=O)c1cc(C)c(c(c1)OC)Br
InChI Key	BUQPHXBXKAGZRZ-UHFFFAOYSA-N
Exact Mass	273.123 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/BUQPHXBXKAGZRZ-UHFFFAOYSA-N/CHMO0000595
License URL
Source	https://www.chemotion-repository.net/inchikey/BUQPHXBXKAGZRZ-UHFFFAOYSA-N/CHMO0000595
Version
Author	Tobias Sengpiel
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T03:05:21.836255
MetadataModified	2024-09-23T09:22:18.668047
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-21_S_Fr1-6 Date : 20230602 Start time : 14.15 h Instrument : spect Label : TSE-7 ID : 105907 Solvent : chloroform-D1 (CDCl3)

Data-Source Molecule ID	Data-Source
No additional information available for this Dataset.