Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C8H7BrO3/c1-4(10)7-6(11)3-2-5(9)8(7)12/h2-3,11-12H,1H3
SMILES CC(=O)c1c(O)ccc(c1O)Br
InChI Key MZSDKOBKEFEBJF-UHFFFAOYSA-N
Exact Mass 231.043 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/MZSDKOBKEFEBJF-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/MZSDKOBKEFEBJF-UHFFFAOYSA-N/CHMO0000595
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T04:35:34.865232
MetadataModified 2024-09-23T09:26:55.315264
MetadataPublished 2024-08-30
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-V4068(3-7)

Date : 20231219

Start time : 10.49 h

Instrument : spect

Label : SG-3473

ID : 288946

Solvent : DMSO